N-benzyl-2-(4-methoxyphenyl)piperidine-1-sulfonamide

• ChemBase ID: 829682
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: S(=O)(=O)(N1C(c2ccc(cc2)OC)CCCC1)NCc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C1CCCCN1S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C19H24N2O3S/c1-24-18-12-10-17(11-13-18)19-9-5-6-14-21(19)25(22,23)20-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3
• InChIKey: MEXJANGNTPBDPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(4-methoxyphenyl)piperidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-2-(4-methoxyphenyl)piperidine-1-sulfonamide
• Synonyms: N-benzyl-2-(4-methoxyphenyl)piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.652917
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8811297
• LogD (pH = 7.4): 2.8809175
• Log P: 2.8811324
• Molar Refractivity: 99.0323 cm^3
• Polarizability: 39.58834 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.86
• LOG S: -4.27
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4