UCSF

ZINC00006310

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 17 Yes

Popular Name: Dapsone Dapsone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 80-08-0 , [80-08-0]

Other Names:

"4,4'-Diaminodiphenyl sulfone, 99.5%"

(4-sulfanilylphenyl)amine

dapsone

1,1'-Sulfonylbis(4-aminobenzene)

1,1'-sulfonylbis(4-aminobenzene); 4,4'-Sulfonylbisbenzenamine; 4,4'-dapsone; 4,4'-diaminodiphenyl sulfone; 4,4'-sulfonylbisaniline; 4-aminophenyl sulfone; Bis(p-aminophenyl) sulfone; DADPS; DDS; Dapsone; Diaphenylsulfone; p,p'-diaminodiphenyl sulfone; p,p

1,1'-Sulfonylbis[4-aminobenzene]

1,1'-Sulfonylbis[4-aminobenzene];4,4'-Diaminodiphenyl sulfone;4,4'-Diaminodiphenyl sulphone;4,4'-Diaminodiphenylsulfone;4,4'-Sulfonylbisbenzeneamine;4,4'-Sulfonyldianilin;4,4'-sulfonyldianiline;DDS, pharmaceutical

1,1'-Sulphonylbis(4-aminobenzene)

1,1'-Sulphonylbis(4-aminobenzene); 1,1'-sulfonylbis(4-aminobenzene); 1358F; 4,4'-Dapsone; 4,4'-Diaminodiphenyl sulfone; 4,4'-Diaminodiphenyl suphone; 4,4'-SULFONYLDIANILINE (DAPSONE); 4,4'-Sulfonylbisaniline; 4,4'-Sulfonylbisbenzenamine; 4,4'-Sulfonyldian

1358F

32960_FLUKA

4,4' Diaminophenyl Sulfone

4,4'-Dapsone

4,4'-Diaminodiphenyl sulfone

4,4'-Diaminodiphenyl sulfone, 98%

4,4'-DIAMINODIPHENYL SULFONE; CPD000059064; Dapsone; SAM002554879

4,4'-Diaminodiphenyl sulphone

4,4'-Diaminodiphenyl suphone

4,4'-Diaminodiphenylsulfone

4,4'-diaminophenyl sulfone

4,4'-Sulfonylbisaniline

4,4'-Sulfonylbisbenzamine

4,4'-Sulfonylbisbenzenamine

4,4'-Sulfonylbisbenzenamine; 80-08-0; C07666; Dapsone; Diaphenylsulfone

4,4'-Sulfonylbisbenzeneamine

4,4'-Sulfonyldianilin

4,4'-sulfonyldianiline

4,4'-Sulfonyldianiline (Dapsone)

4,4'-Sulfonyldianiline, Bis(p-aminophenyl) sulfone

4,4'-Sulphonylbisbenzamine

4,4'-Sulphonylbisbenzenamine

4,4'-Sulphonyldianiline

4,4-Diaminodifenylsulfon

4,4-Diaminodifenylsulfon [Czech]

4,4-Sulfonyldianiline

4-(4-aminophenyl)sulfonylaniline

4-Aminop henyl sulfone

4-Aminophenyl sulfone

4-Aminophenyl sulfone, 97%

4-Aminophenylsulfone

4-[(4-aminobenzene)sulfonyl]aniline

4-[(4-Aminophenyl)sulfonyl]aniline

46158_FLUKA

46158_RIEDEL

80-08-0

80-08-0; Aczone (TN); D00592; Dapsone (USP); Diaphenylsulfone (JAN)

80-08-0; CPD000059064; Dapsone; SAM002554879

80-08-0; Dapsone; Prestwick_152

93

A74807_ALDRICH

AB00051962

AB1004833

AC-10922

AC1L1EUH

AC1Q51WM

AC1Q51WN

Acedapsone

Aczone

Aczone (TN)

AI3-08087

AKOS000119322

ALBB-005917

Ambap80-08-0

AMINOPHENYLSULFONYLANILIN

Aniline, 4,4'-sulfonyldi-

Araldite Ht

Araldite HT 976

Atrisone

Avlosulfon

Avlosulfone

Avlosulphone

Avsulfor

AZT + Dapsone cominbation

BAN

Benzenamine, 4,4'-sulfonylbis-

BIDD:GT0770

Bis(4-aminophenyl) sulfone

Bis(4-aminophenyl)sulfone

Bis(4-aminophenyl)sulphone

Bis(p-aminophenyl) sulfone

Bis(p-aminophenyl)sulphone

BPBio1_000143

BRD-K62363391-001-05-8

BRN 0788055

BSPBio_000129

BSPBio_002129

C07666

CAS-80-08-0

CBDivE_013582

CCRIS 192

CHEBI:226356

CHEBI:4325

CHEMBL1043

CID2955

CPD000059064

Croysulfone

Croysulphone

D SS

D003622

D00592

D0089

DADPS

DAP000637

Dapsoderm-X

Dapson

Dapson-Fatol

Dapsona

Dapsona [INN-Spanish]

dapsona; dapsone; dapsonum

Dapsone (BAN

Dapsone (FDA

Dapsone (INN

Dapsone (USP)

Dapsone [USAN:BAN]

Dapsonum

Dapsonum [INN-Latin]

DB00250

DDS

DDS (pharmaceutical)

Dds, Diaphenylsulfone

Dds, Pharmaceutical

Di(4-aminophenyl) sulfone

Di(4-aminophenyl)sulfone

Di(4-aminophenyl)sulphone

Di(p-aminophenyl) sulfone

Di(p-aminophenyl)sulphone

Diamino-4,4'-diphenyl sulfone

Diamino-4,4'-diphenyl sulphone

Diamino-diphenyl sulphone

Diaminodifenilsulfona

Diaminodifenilsulfona [Spanish]

Diaminodiphenyl Sulfone

Diaminodiphenylsulfone

Diaphenylsulfon

Diaphenylsulfone

Diaphenylsulfone (JAN)

Diaphenylsulphon

Diaphenylsulphone

Dimitone

Diphenasone

Diphone

Disulone

DivK1c_000573

DSS

DSS (VAN)

Dubronax

Dubronaz

Dumitone

EINECS 201-248-4

Eporal

F 1358

Fatol Brand of Dapsone

FDA

Hardener HT 976

HMS1568G11

HMS1920C14

HMS2091K04

HMS501M15

HSDB 5073

HT 976

HY 976

I01-3640

ICI

IDI1_000573

IN-201

INN

KBio1_000573

KBio2_001368

KBio2_003936

KBio2_006504

KBio3_001349

KBioGR_000900

KBioSS_001368

LS-1790

LS-19991

Metabolite C

Mex-America Brand of Dapsone

MFCD00007887

MLS000069409

MLS001055349

MLS001076146

MolPort-001-780-172

N, N'-Diphenyl Sulfondiamide

N,N'-Diphenyl sulfondiamide

NCGC00016322-01

NCGC00016322-02

NCGC00023946-03

NCGC00023946-04

NCGC00023946-05

NCGC00023946-06

NCI-C01718

NINDS_000573

Normet

Novophone

NSC 6091

NSC 6091D

NSC-6091

NSC6091

Oprea1_143052

Orsade Brand of Dapsone

P, P'-Sulfonyldianiline

P,P'-Diaminodiphenyl Sulfone

p,p'-sulfonyldianiline

P,P-Diaminodiphenyl Sulphone

P,P-Sulfonylbisbenzamine

P,P-Sulfonylbisbenzenamine

P,P-Sulphonylbisbenzamine

P,P-Sulphonylbisbenzenamine

P,P-Sulphonyldianiline

P-Aminophenyl Sulfone

Prestwick0_000035

Prestwick1_000035

Prestwick2_000035

Prestwick3_000035

Prestwick_152

Protogen

Recolip

SAM002554879

SMR000059064

SPBio_001025

SPBio_002050

SPECTRUM1500222

Spectrum2_001133

Spectrum3_000375

Spectrum4_000310

Spectrum5_000825

Spectrum_000888

STK387118

Sulfadione

Sulfanona-Mae

Sulfon-Mere

Sulfona

Sulfona-Mae

Sulfone Ucb

Sulfone, 4,4'-Diaminophenyl

Sulfone, diphenyl, 4,4'-diamino-

Sulfonyldianiline

Sulphadione

Sulphon-Mere

Sulphonyldianiline

Sumicure S

Tarimyl

TL8005401

Udolac

UNII-8W5C518302

USAN

USP); Diaphenylsulfone (DCF)

W R 448

WLN: ZR DSWR DZ

WR 448

ZINC00006310

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 0.99 -11.28 4 4 0 86 248.307 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.991 Bitter DB
Mp [°C] 173 - 178 Acros Organics
mp 175 - 176 MolMall (formerly Molecular Diversity Preservation International)
MP 175 - 177 Enamine Building Blocks
Melting_Point 175-178? Alfa-Aesar
Melting_Point 175-178° Alfa-Aesar
MP 175...177 Enamine Building Blocks
MP 177 TCI
ALOGPS_SOLUBILITY 2.84e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Therapy antibacterial (leprostatic), dermatitis herpetiformis suppressant SMDC Iconix
therap antibacterial, leprostatic, dermatitis herpetiformis suppressant MicroSource Spectrum
UniProt Database Links DHPS2_MYCBO; DHPS2_MYCLE; DHPS2_MYCTU ChEBI
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-3170; NCC_SUPPLIER_SAMPLE_COMMENTS : BEIGE POWDER NIH Clinical Collection via PubChem
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-3170; SUPPLIER_COMMENTS: BEIGE POWDER NIH Clinical Collection via PubChem
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-F Dihydrofolate Reductase (cluster #1 Of 1), Fungal Fungi 1500 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_PNECA P16184 Dihydrofolate Reductase, Pneca 1500 0.48 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )