N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-sulfonamide

• ChemBase ID: 709442
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: S(=O)(=O)(NC1CN(CCCc2ccccc2)CCC1)c1cnccc1
• Canonical SMILES: O=S(=O)(c1cccnc1)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H25N3O2S/c23-25(24,19-11-4-12-20-15-19)21-18-10-6-14-22(16-18)13-5-9-17-7-2-1-3-8-17/h1-4,7-8,11-12,15,18,21H,5-6,9-10,13-14,16H2
• InChIKey: JMCVJJWEKNTRKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-sulfonamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-sulfonamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-3-pyridinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.462409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26811662
• LogD (pH = 7.4): 1.991258
• Log P: 2.3877957
• Molar Refractivity: 100.1546 cm^3
• Polarizability: 39.75096 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.03
• LOG S: -3.4
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6