N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(trifluoromethyl)benzene-1-sulfonamide

• ChemBase ID: 520515
• Molecular Formular: C22H24F3NO3S
• Molecular Mass: 439.4910696
• Monoisotopic Mass: 439.14289929
• SMILES: S(=O)(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1c(C(F)(F)F)cccc1
• Canonical SMILES: O=S(=O)(c1ccccc1C(F)(F)F)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C22H24F3NO3S/c23-22(24,25)20-6-1-2-7-21(20)30(27,28)26(18-10-11-18)14-16-8-12-19(13-9-16)29-15-17-4-3-5-17/h1-2,6-9,12-13,17-18H,3-5,10-11,14-15H2
• InChIKey: GXRJADTVACTOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(trifluoromethyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1619897
• LogD (pH = 7.4): 5.1619897
• Log P: 5.1619897
• Molar Refractivity: 108.813 cm^3
• Polarizability: 42.032646 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.29
• LOG S: -5.05
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7