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

• ChemBase ID: 718899
• Molecular Formular: C16H23FN2O2S
• Molecular Mass: 326.4294232
• Monoisotopic Mass: 326.14642721
• SMILES: S(=O)(=O)(N(C1CN(Cc2c(F)cccc2)CCC1)C)C1CC1
• Canonical SMILES: Fc1ccccc1CN1CCCC(C1)N(S(=O)(=O)C1CC1)C
• InChI: InChI=1S/C16H23FN2O2S/c1-18(22(20,21)15-8-9-15)14-6-4-10-19(12-14)11-13-5-2-3-7-16(13)17/h2-3,5,7,14-15H,4,6,8-12H2,1H3
• InChIKey: IQAQVNAJVXRGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6223955
• LogD (pH = 7.4): 1.9147687
• Log P: 2.0334296
• Molar Refractivity: 85.3784 cm^3
• Polarizability: 33.799824 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.2
• LOG S: -2.45
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4