N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)ethane-1-sulfonamide

• ChemBase ID: 554530
• Molecular Formular: C20H24FNO3S
• Molecular Mass: 377.4728632
• Monoisotopic Mass: 377.14609285
• SMILES: S(=O)(=O)(N(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1)CC
• Canonical SMILES: CCS(=O)(=O)N(C1CC1)Cc1ccc(cc1)OCCc1ccc(cc1)F
• InChI: InChI=1S/C20H24FNO3S/c1-2-26(23,24)22(19-9-10-19)15-17-5-11-20(12-6-17)25-14-13-16-3-7-18(21)8-4-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3
• InChIKey: FDHYPGWFESBHBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)ethane-1-sulfonamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)ethanesulfonamide
• Synonyms: N-cyclopropyl-N-{4-[2-(4-fluorophenyl)ethoxy]benzyl}ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6093025
• LogD (pH = 7.4): 3.6093025
• Log P: 3.6093025
• Molar Refractivity: 100.6037 cm^3
• Polarizability: 39.497993 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.19
• LOG S: -4.34
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7