3-(cyclohexylamino)-N-cyclopentyl-5-(phenylsulfamoyl)benzamide

• ChemBase ID: 517046
• Molecular Formular: C24H31N3O3S
• Molecular Mass: 441.58624
• Monoisotopic Mass: 441.20861287
• SMILES: S(=O)(=O)(c1cc(cc(C(=O)NC2CCCC2)c1)NC1CCCCC1)Nc1ccccc1
• Canonical SMILES: O=C(c1cc(NC2CCCCC2)cc(c1)S(=O)(=O)Nc1ccccc1)NC1CCCC1
• InChI: InChI=1S/C24H31N3O3S/c28-24(26-20-11-7-8-12-20)18-15-22(25-19-9-3-1-4-10-19)17-23(16-18)31(29,30)27-21-13-5-2-6-14-21/h2,5-6,13-17,19-20,25,27H,1,3-4,7-12H2,(H,26,28)
• InChIKey: KPMSVCPRYUQBLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylamino)-N-cyclopentyl-5-(phenylsulfamoyl)benzamide
• IUPAC Traditional name: 3-(cyclohexylamino)-N-cyclopentyl-5-(phenylsulfamoyl)benzamide
• Synonyms: 3-(anilinosulfonyl)-5-(cyclohexylamino)-N-cyclopentylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.6794915
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 4.15815
• LogD (pH = 7.4): 4.003839
• Log P: 4.161978
• Molar Refractivity: 124.4865 cm^3
• Polarizability: 47.95998 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 4.98
• LOG S: -6.11
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6