1-(cyclopropanesulfonyl)-2-(4-fluorophenyl)piperidine

• ChemBase ID: 593544
• Molecular Formular: C14H18FNO2S
• Molecular Mass: 283.3616232
• Monoisotopic Mass: 283.10422804
• SMILES: S(=O)(=O)(N1C(c2ccc(cc2)F)CCCC1)C1CC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1S(=O)(=O)C1CC1
• InChI: InChI=1S/C14H18FNO2S/c15-12-6-4-11(5-7-12)14-3-1-2-10-16(14)19(17,18)13-8-9-13/h4-7,13-14H,1-3,8-10H2
• InChIKey: AKCXEKQDVITLRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropanesulfonyl)-2-(4-fluorophenyl)piperidine
• IUPAC Traditional name: 1-(cyclopropanesulfonyl)-2-(4-fluorophenyl)piperidine
• Synonyms: 1-(cyclopropylsulfonyl)-2-(4-fluorophenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.459354
• LogD (pH = 7.4): 2.459354
• Log P: 2.459354
• Molar Refractivity: 71.9603 cm^3
• Polarizability: 28.603596 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.82
• LOG S: -3.67
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2