2-(1H-1,3-benzodiazol-2-yl)-N-benzylpiperidine-1-sulfonamide

• ChemBase ID: 370996
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: S(=O)(=O)(N1C(c2nc3c([nH]2)cccc3)CCCC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(N1CCCCC1c1nc2c([nH]1)cccc2)NCc1ccccc1
• InChI: InChI=1S/C19H22N4O2S/c24-26(25,20-14-15-8-2-1-3-9-15)23-13-7-6-12-18(23)19-21-16-10-4-5-11-17(16)22-19/h1-5,8-11,18,20H,6-7,12-14H2,(H,21,22)
• InChIKey: IVNJJGLKFSBQGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-1,3-benzodiazol-2-yl)-N-benzylpiperidine-1-sulfonamide
• IUPAC Traditional name: 2-(1H-1,3-benzodiazol-2-yl)-N-benzylpiperidine-1-sulfonamide
• Synonyms: 2-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.5045595
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4477813
• LogD (pH = 7.4): 2.5486453
• Log P: 2.5504177
• Molar Refractivity: 100.8817 cm^3
• Polarizability: 41.392292 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.24
• LOG S: -3.81
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3