N-benzyl({2-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)sulfonamide

• ChemBase ID: 687308
• Molecular Formular: C19H25N3O3S
• Molecular Mass: 375.4851
• Monoisotopic Mass: 375.16166268
• SMILES: S(=O)(=O)(Nc1c(OC2CCN(CC2)C)cccc1)NCc1ccccc1
• Canonical SMILES: CN1CCC(CC1)Oc1ccccc1NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C19H25N3O3S/c1-22-13-11-17(12-14-22)25-19-10-6-5-9-18(19)21-26(23,24)20-15-16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3
• InChIKey: PKNQPESWDWDSEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl({2-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)sulfonamide
• IUPAC Traditional name: N-benzyl({2-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)sulfonamide
• Synonyms: N-benzyl-N'-{2-[(1-methylpiperidin-4-yl)oxy]phenyl}sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.267501
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2014282
• LogD (pH = 7.4): 0.5361547
• Log P: 1.3921307
• Molar Refractivity: 102.9395 cm^3
• Polarizability: 41.113857 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.67
• LOG S: -3.21
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5