N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

• ChemBase ID: 524531
• Molecular Formular: C27H25FN2O3S
• Molecular Mass: 476.5624032
• Monoisotopic Mass: 476.15699189
• SMILES: S(=O)(=O)(N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(S(=O)(=O)c1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C27H25FN2O3S/c28-25-11-9-22(10-12-25)15-18-33-26-6-4-5-24(19-26)21-30(20-23-13-16-29-17-14-23)34(31,32)27-7-2-1-3-8-27/h1-14,16-17,19H,15,18,20-21H2
• InChIKey: RAUVVULTHWEAEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.146756
• LogD (pH = 7.4): 5.254453
• Log P: 5.2560678
• Molar Refractivity: 131.1248 cm^3
• Polarizability: 51.090157 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.33
• LOG S: -5.29
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 9