4-(cyclopentylsulfamoyl)-N-(2-oxopyrrolidin-3-yl)benzamide

• ChemBase ID: 739914
• Molecular Formular: C16H21N3O4S
• Molecular Mass: 351.42064
• Monoisotopic Mass: 351.12527717
• SMILES: S(=O)(=O)(NC1CCCC1)c1ccc(C(=O)NC2C(=O)NCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NC1CCCC1)NC1CCNC1=O
• InChI: InChI=1S/C16H21N3O4S/c20-15(18-14-9-10-17-16(14)21)11-5-7-13(8-6-11)24(22,23)19-12-3-1-2-4-12/h5-8,12,14,19H,1-4,9-10H2,(H,17,21)(H,18,20)
• InChIKey: GHPRGVJHRGPDEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylsulfamoyl)-N-(2-oxopyrrolidin-3-yl)benzamide
• IUPAC Traditional name: 4-(cyclopentylsulfamoyl)-N-(2-oxopyrrolidin-3-yl)benzamide
• Synonyms: 4-[(cyclopentylamino)sulfonyl]-N-(2-oxo-3-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.88472
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.2270628
• LogD (pH = 7.4): 0.2258207
• Log P: 0.22707872
• Molar Refractivity: 88.9461 cm^3
• Polarizability: 34.841877 Å^3
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.54
• LOG S: -2.61
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 4