User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC52214180

• 52214180

Physical Representations

Activity (Go SEA)

• 37577420
  

  Analogs

  42454078

  

  42454079

  

  42454090

  

  42462264

  

  42462266

  

  Popular Name: 3-[2-methyl-4-(1-piperidylsulfonyl)phenyl]prop-2-yn-1-ol 3-[2-methyl-4-(1-piperidylsulfon…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60822577

  • Enamine BB Make on Demand

    • BBV-29413066

  • UORSY BB Make-on-demand

    • BBV-29413066

  Draw Identity 99% 90% 80% 70%

  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)	2.10	3.85	-11.39	1	4	0	58	293.388	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37577420
• 7779380
  

  Analogs

  7779381

  

  36880205

  

  36880784

  

  52214180

  

  52214212

  

  Popular Name: 3,4-dimethyl-N-(1-methylbutyl)benzenesulfonamide 3,4-dimethyl-N-(1-methylbutyl)be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 3556992

  • Molport

    • MolPort-003-280-898

  • Enamine

    • Z45543051

  • Mcule

    • MCULE-6827175205

  • PubChem

    • 8893165

  And 4 More

  Draw Identity 99% 90% 80% 70%

  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)	3.60	-3.02	-8.53	1	3	0	46	255.383	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07779380
• 7779381
  

  Analogs

  36880205

  

  36880784

  

  52214180

  

  52214212

  

  52214253

  

  Popular Name: 3,4-dimethyl-N-(1-methylbutyl)benzenesulfonamide 3,4-dimethyl-N-(1-methylbutyl)be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 3556992

  • Molport

    • MolPort-003-280-898

  • Enamine

    • Z45543051

  • Mcule

    • MCULE-6827175205

  • PubChem

    • 8893166

  And 4 More

  Draw Identity 99% 90% 80% 70%

  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)	3.60	-3	-8.38	1	3	0	46	255.383	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07779381
• 2616200
  

  Analogs

  3295227

  

  16093186

  

  36880205

  

  36880736

  

  36880784

  

  Popular Name: N-cyclohexyl-3,4-dimethylbenzenesulfonamide N-cyclohexyl-3,4-dimethylbenzene…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AP-263/43371276

  • eMolecules

    • 3193073

  • Molport

    • MolPort-002-843-505

  • Chembo Pharma

    • KB-108691

  • ChemBridge

    • 9047674

  And 11 More

  Draw Identity 99% 90% 80% 70%

  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)	3.74	5.39	-9.07	1	3	0	46	267.394	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02616200
• 3327103
  

  Analogs

  36880205

  

  36880784

  

  42176126

  

  52214180

  

  Popular Name: N-cyclopentyl-3,4-dimethylbenzenesulfonamide N-cyclopentyl-3,4-dimethylbenzen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AP-263/43355394

  • eMolecules

    • 3124351

  • Mcule

    • MCULE-3697607496

  • UORSY

    • PB45614869

  • ChEMBL12

    • CHEMBL1507206

  And 8 More

  Draw Identity 99% 90% 80% 70%

  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)	3.23	4.77	-8.22	1	3	0	46	253.367	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03327103
• 16093186
  

  Analogs

  36880205

  

  36880736

  

  36880784

  

  36880814

  

  36880827

  

  Popular Name: N-[4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexyl]-3,4-dimethyl-benzenesulfonamide N-[4-[(3,4-dimethylphenyl)sulfon…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 24420572

  • AKOS (make-on-demand)

    • AKOS000971300

  Draw Identity 99% 90% 80% 70%

  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)	4.27	5.51	-16.29	2	6	0	92	450.626	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16093186
• 36880736
  

  Analogs

  52214180

  

  16093186

  

  2616200

  

  Popular Name: N-(4-aminocyclohexyl)-3,4-dimethyl-benzenesulfonamide N-(4-aminocyclohexyl)-3,4-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43653466

  • Enamine BB Make on Demand

    • BBV-37867370

  • UORSY BB Make-on-demand

    • BBV-37867370

  Draw Identity 99% 90% 80% 70%

  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)	1.63	2.65	-51.93	4	4	1	74	283.417	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36880736
• 3295227
  

  Analogs

  36880205

  

  36880784

  

  36880827

  

  52214180

  

  2616200

  

  Popular Name: N-cycloheptyl-3,4-dimethylbenzenesulfonamide N-cycloheptyl-3,4-dimethylbenzen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AP-263/43350389

  • eMolecules

    • 2559238

  • ChemBridge

    • 9079349

  • Innovapharm

    • STT-00159170

  • Mcule

    • MCULE-9472124260

  And 7 More

  Draw Identity 99% 90% 80% 70%

  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)	4.24	-4.02	-8.06	1	3	0	46	281.421	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03295227