N-{1-[(4-phenoxyphenyl)methyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 372160
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: S(=O)(=O)(NC1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)C
• Canonical SMILES: CS(=O)(=O)NC1CCN(CC1)Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C19H24N2O3S/c1-25(22,23)20-17-11-13-21(14-12-17)15-16-7-9-19(10-8-16)24-18-5-3-2-4-6-18/h2-10,17,20H,11-15H2,1H3
• InChIKey: UBRJRAPSQDGUEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(4-phenoxyphenyl)methyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[(4-phenoxyphenyl)methyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-[1-(4-phenoxybenzyl)piperidin-4-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.532065
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.04670599
• LogD (pH = 7.4): 1.5885468
• Log P: 1.939993
• Molar Refractivity: 99.2681 cm^3
• Polarizability: 39.648064 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: 3.06
• LOG S: -3.43
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5