N-cyclobutyl-3-[(5-oxo-1-propylpyrrolidin-3-yl)sulfamoyl]benzamide

• ChemBase ID: 480939
• Molecular Formular: C18H25N3O4S
• Molecular Mass: 379.4738
• Monoisotopic Mass: 379.1565773
• SMILES: S(=O)(=O)(NC1CC(=O)N(C1)CCC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: CCCN1CC(CC1=O)NS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
• InChI: InChI=1S/C18H25N3O4S/c1-2-9-21-12-15(11-17(21)22)20-26(24,25)16-8-3-5-13(10-16)18(23)19-14-6-4-7-14/h3,5,8,10,14-15,20H,2,4,6-7,9,11-12H2,1H3,(H,19,23)
• InChIKey: XBNCCGCJKNZZCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(5-oxo-1-propylpyrrolidin-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[(5-oxo-1-propylpyrrolidin-3-yl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[(5-oxo-1-propylpyrrolidin-3-yl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.868045
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.91036355
• LogD (pH = 7.4): 0.90907305
• Log P: 0.91038024
• Molar Refractivity: 98.2733 cm^3
• Polarizability: 38.502014 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.23
• LOG S: -3.02
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 6