3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-phenylbenzamide

• ChemBase ID: 819008
• Molecular Formular: C18H19N3O4S
• Molecular Mass: 373.42616
• Monoisotopic Mass: 373.1096271
• SMILES: S(=O)(=O)(NC1C(=O)NCCC1)c1cc(C(=O)Nc2ccccc2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCCNC1=O)Nc1ccccc1
• InChI: InChI=1S/C18H19N3O4S/c22-17(20-14-7-2-1-3-8-14)13-6-4-9-15(12-13)26(24,25)21-16-10-5-11-19-18(16)23/h1-4,6-9,12,16,21H,5,10-11H2,(H,19,23)(H,20,22)
• InChIKey: HEFCCQHGGAYOGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-phenylbenzamide
• IUPAC Traditional name: 3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-phenylbenzamide
• Synonyms: 3-{[(2-oxopiperidin-3-yl)amino]sulfonyl}-N-phenylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.824299
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4072897
• LogD (pH = 7.4): 1.4058625
• Log P: 1.407308
• Molar Refractivity: 98.7359 cm^3
• Polarizability: 37.934338 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: 0.24
• LOG S: -3.44
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 4