N-benzyl[(1-benzylpiperidin-3-yl)amino]sulfonamide

• ChemBase ID: 830651
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: S(=O)(=O)(NC1CN(Cc2ccccc2)CCC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(NC1CCCN(C1)Cc1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C19H25N3O2S/c23-25(24,20-14-17-8-3-1-4-9-17)21-19-12-7-13-22(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2
• InChIKey: LBXMXDVKDDUZFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(1-benzylpiperidin-3-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(1-benzylpiperidin-3-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(1-benzylpiperidin-3-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.555745
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.40833336
• LogD (pH = 7.4): 2.0406752
• Log P: 2.3892035
• Molar Refractivity: 101.0905 cm^3
• Polarizability: 40.444305 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.77
• LOG S: -3.18
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5