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

• ChemBase ID: 585777
• Molecular Formular: C18H27FN2O2S
• Molecular Mass: 354.4825832
• Monoisotopic Mass: 354.17772733
• SMILES: S(=O)(=O)(C1CC1)N(CC1CN(CCc2c(F)cccc2)CCC1)C
• Canonical SMILES: Fc1ccccc1CCN1CCCC(C1)CN(S(=O)(=O)C1CC1)C
• InChI: InChI=1S/C18H27FN2O2S/c1-20(24(22,23)17-8-9-17)13-15-5-4-11-21(14-15)12-10-16-6-2-3-7-18(16)19/h2-3,6-7,15,17H,4-5,8-14H2,1H3
• InChIKey: WPQFIZFSPRIDRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.18881229
• LogD (pH = 7.4): 1.5829597
• Log P: 2.3668454
• Molar Refractivity: 95.0734 cm^3
• Polarizability: 37.399933 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -3.36
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6