3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 341591
• Molecular Formular: C15H23FN2O2S
• Molecular Mass: 314.4187232
• Monoisotopic Mass: 314.14642721
• SMILES: S(=O)(=O)(N1CC(CCc2cc(F)ccc2)CCC1)N(C)C
• Canonical SMILES: Fc1cccc(c1)CCC1CCCN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-10-4-6-14(12-18)9-8-13-5-3-7-15(16)11-13/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3
• InChIKey: GQHXTXHHNOZALN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2843812
• LogD (pH = 7.4): 2.2843826
• Log P: 2.2843826
• Molar Refractivity: 82.5554 cm^3
• Polarizability: 32.613224 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.9
• LOG S: -4.85
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3