3-(cyclohexylsulfamoyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-3-yl)benzamide

• ChemBase ID: 337779
• Molecular Formular: C25H28N4O3S
• Molecular Mass: 464.57982
• Monoisotopic Mass: 464.18821178
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2Cc3c(C2)cccc3)cc(c2n[nH]cc2)c1)NC1CCCCC1
• Canonical SMILES: O=C(c1cc(cc(c1)S(=O)(=O)NC1CCCCC1)c1n[nH]cc1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C25H28N4O3S/c30-25(27-22-13-17-6-4-5-7-18(17)14-22)20-12-19(24-10-11-26-28-24)15-23(16-20)33(31,32)29-21-8-2-1-3-9-21/h4-7,10-12,15-16,21-22,29H,1-3,8-9,13-14H2,(H,26,28)(H,27,30)
• InChIKey: KPTKWNHUFYFPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylsulfamoyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-3-yl)benzamide
• IUPAC Traditional name: 3-(cyclohexylsulfamoyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-3-yl)benzamide
• Synonyms: 3-[(cyclohexylamino)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.689745
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 4.1264267
• LogD (pH = 7.4): 4.1246185
• Log P: 4.1265893
• Molar Refractivity: 128.9009 cm^3
• Polarizability: 50.89463 Å^3
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 4.53
• LOG S: -6.4
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 5