UCSF

ZINC00394023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 3-Chloro-4-methylbenzenesulfonamide 3-Chloro-4-methylbenzenesulfonamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51896-27-6 , [51896-27-6]

Download: MOL2 SDF SMILES Flexibase

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) 1.69 0.55 -9.42 2 3 0 60 205.666 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 133 - 135 Enamine Building Blocks
MP 133...135 Enamine Building Blocks
Melting_Point 135-138? Alfa-Aesar
MP 135-138° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.