N-methyl-4-[(3-phenylpiperidin-1-yl)methyl]benzene-1-sulfonamide

• ChemBase ID: 563878
• Molecular Formular: C19H24N2O2S
• Molecular Mass: 344.47106
• Monoisotopic Mass: 344.15584902
• SMILES: S(=O)(=O)(c1ccc(CN2CC(c3ccccc3)CCC2)cc1)NC
• Canonical SMILES: CNS(=O)(=O)c1ccc(cc1)CN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C19H24N2O2S/c1-20-24(22,23)19-11-9-16(10-12-19)14-21-13-5-8-18(15-21)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3
• InChIKey: RPBPMMAYFZXJDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[(3-phenylpiperidin-1-yl)methyl]benzene-1-sulfonamide
• IUPAC Traditional name: N-methyl-4-[(3-phenylpiperidin-1-yl)methyl]benzenesulfonamide
• Synonyms: N-methyl-4-[(3-phenylpiperidin-1-yl)methyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.189063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.09893176
• LogD (pH = 7.4): 1.815792
• Log P: 2.9064794
• Molar Refractivity: 98.3639 cm^3
• Polarizability: 38.80179 Å^3
• Polar Surface Area: 49.41 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: 3.01
• LOG S: -3.27
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4