N-{2-[1-(2,6-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide

• ChemBase ID: 846237
• Molecular Formular: C15H20F2N2O3S
• Molecular Mass: 346.3927064
• Monoisotopic Mass: 346.11626995
• SMILES: S(=O)(=O)(N1C(CCNC(=O)C)CCCC1)c1c(F)cccc1F
• Canonical SMILES: CC(=O)NCCC1CCCCN1S(=O)(=O)c1c(F)cccc1F
• InChI: InChI=1S/C15H20F2N2O3S/c1-11(20)18-9-8-12-5-2-3-10-19(12)23(21,22)15-13(16)6-4-7-14(15)17/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,18,20)
• InChIKey: FICKULMUCPTTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(2,6-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[1-(2,6-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide
• Synonyms: N-(2-{1-[(2,6-difluorophenyl)sulfonyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.926895
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3039882
• LogD (pH = 7.4): 1.3039882
• Log P: 1.3039883
• Molar Refractivity: 82.5133 cm^3
• Polarizability: 32.164433 Å^3
• Polar Surface Area: 66.48 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: 1.08
• LOG S: -2.65
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4