N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-2-(trifluoromethyl)benzene-1-sulfonamide

• ChemBase ID: 546700
• Molecular Formular: C25H26F3NO4S2
• Molecular Mass: 525.6034496
• Monoisotopic Mass: 525.12553498
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1cc(OCCc2sccc2)ccc1)c1c(C(F)(F)F)cccc1
• Canonical SMILES: FC(c1ccccc1S(=O)(=O)N(Cc1cccc(c1)OCCc1cccs1)CC1CCCO1)(F)F
• InChI: InChI=1S/C25H26F3NO4S2/c26-25(27,28)23-10-1-2-11-24(23)35(30,31)29(18-21-8-4-13-32-21)17-19-6-3-7-20(16-19)33-14-12-22-9-5-15-34-22/h1-3,5-7,9-11,15-16,21H,4,8,12-14,17-18H2
• InChIKey: MVZGTPYOSZBHQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-2-(trifluoromethyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-2-(trifluoromethyl)benzenesulfonamide
• Synonyms: N-(tetrahydro-2-furanylmethyl)-N-{3-[2-(2-thienyl)ethoxy]benzyl}-2-(trifluoromethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Log P: 5.8158836
• Molar Refractivity: 129.6814 cm^3
• Polarizability: 49.82457 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.8158836
• LogD (pH = 7.4): 5.8158836

供应商提供(Chembridge)

• Log P: 5.8
• LOG S: -6.15
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 9
• H Acceptors: 5
• H Donor: 0