N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}benzenesulfonamide

• ChemBase ID: 353881
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: S(=O)(=O)(NC1CN(Cc2cc(OC)ccc2)CCC1)c1ccccc1
• Canonical SMILES: COc1cccc(c1)CN1CCCC(C1)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C19H24N2O3S/c1-24-18-9-5-7-16(13-18)14-21-12-6-8-17(15-21)20-25(22,23)19-10-3-2-4-11-19/h2-5,7,9-11,13,17,20H,6,8,12,14-15H2,1H3
• InChIKey: KZIPMHWJAOAHPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}benzenesulfonamide
• IUPAC Traditional name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}benzenesulfonamide
• Synonyms: N-[1-(3-methoxybenzyl)-3-piperidinyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.171264
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3391929
• LogD (pH = 7.4): 2.7061741
• Log P: 2.8539636
• Molar Refractivity: 99.4187 cm^3
• Polarizability: 39.55365 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -3.39
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5