N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}benzenesulfonamide

• ChemBase ID: 626028
• Molecular Formular: C18H21FN2O2S
• Molecular Mass: 348.4349432
• Monoisotopic Mass: 348.13077714
• SMILES: S(=O)(=O)(NC1CN(Cc2c(F)cccc2)CCC1)c1ccccc1
• Canonical SMILES: Fc1ccccc1CN1CCCC(C1)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C18H21FN2O2S/c19-18-11-5-4-7-15(18)13-21-12-6-8-16(14-21)20-24(22,23)17-9-2-1-3-10-17/h1-5,7,9-11,16,20H,6,8,12-14H2
• InChIKey: CRPBWWCPFCBHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}benzenesulfonamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}benzenesulfonamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.171058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0869358
• LogD (pH = 7.4): 3.0987344
• Log P: 3.1543367
• Molar Refractivity: 93.1719 cm^3
• Polarizability: 36.697117 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: 3.15
• LOG S: -3.42
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4