N-({4-[4-(benzenesulfonyl)phenyl]phenyl}methyl)acetamide

• ChemBase ID: 493440
• Molecular Formular: C21H19NO3S
• Molecular Mass: 365.44546
• Monoisotopic Mass: 365.10856447
• SMILES: S(=O)(=O)(c1ccc(c2ccc(CNC(=O)C)cc2)cc1)c1ccccc1
• Canonical SMILES: CC(=O)NCc1ccc(cc1)c1ccc(cc1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C21H19NO3S/c1-16(23)22-15-17-7-9-18(10-8-17)19-11-13-21(14-12-19)26(24,25)20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,22,23)
• InChIKey: ZUDRKBNAXWJYRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[4-(benzenesulfonyl)phenyl]phenyl}methyl)acetamide
• IUPAC Traditional name: N-({4-[4-(benzenesulfonyl)phenyl]phenyl}methyl)acetamide
• Synonyms: N-{[4'-(phenylsulfonyl)biphenyl-4-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.273575
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5199208
• LogD (pH = 7.4): 3.5199208
• Log P: 3.5199208
• Molar Refractivity: 102.6436 cm^3
• Polarizability: 42.090996 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.57
• LOG S: -4.06
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 5