N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)methanesulfonamide

• ChemBase ID: 391327
• Molecular Formular: C19H22FNO3S
• Molecular Mass: 363.4462832
• Monoisotopic Mass: 363.13044279
• SMILES: S(=O)(=O)(N(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1)C
• Canonical SMILES: Fc1ccc(cc1)CCOc1ccc(cc1)CN(S(=O)(=O)C)C1CC1
• InChI: InChI=1S/C19H22FNO3S/c1-25(22,23)21(18-8-9-18)14-16-4-10-19(11-5-16)24-13-12-15-2-6-17(20)7-3-15/h2-7,10-11,18H,8-9,12-14H2,1H3
• InChIKey: GNVMLXWLUBMEMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1003053
• LogD (pH = 7.4): 3.1003053
• Log P: 3.1003053
• Molar Refractivity: 95.7313 cm^3
• Polarizability: 37.66181 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.66
• LOG S: -3.93
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7