N,N-dimethyl-3-[3-(trifluoromethyl)benzoyl]piperidine-1-sulfonamide

• ChemBase ID: 602536
• Molecular Formular: C15H19F3N2O3S
• Molecular Mass: 364.3831696
• Monoisotopic Mass: 364.10684814
• SMILES: S(=O)(=O)(N1CC(C(=O)c2cc(C(F)(F)F)ccc2)CCC1)N(C)C
• Canonical SMILES: O=C(c1cccc(c1)C(F)(F)F)C1CCCN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C15H19F3N2O3S/c1-19(2)24(22,23)20-8-4-6-12(10-20)14(21)11-5-3-7-13(9-11)15(16,17)18/h3,5,7,9,12H,4,6,8,10H2,1-2H3
• InChIKey: OHYINBLCYMKVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[3-(trifluoromethyl)benzoyl]piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-3-[3-(trifluoromethyl)benzoyl]piperidine-1-sulfonamide
• Synonyms: N,N-dimethyl-3-[3-(trifluoromethyl)benzoyl]-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.0921
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7645047
• LogD (pH = 7.4): 1.764506
• Log P: 1.764506
• Molar Refractivity: 84.4471 cm^3
• Polarizability: 32.426407 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.74
• LOG S: -4.84
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 2