N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide

• ChemBase ID: 633174
• Molecular Formular: C26H28FNO4S
• Molecular Mass: 469.5682232
• Monoisotopic Mass: 469.1723076
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1ccc(OCc2cc(F)ccc2)cc1)Cc1ccccc1
• Canonical SMILES: Fc1cccc(c1)COc1ccc(cc1)CN(S(=O)(=O)Cc1ccccc1)CC1CCCO1
• InChI: InChI=1S/C26H28FNO4S/c27-24-9-4-8-23(16-24)19-32-25-13-11-21(12-14-25)17-28(18-26-10-5-15-31-26)33(29,30)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,16,26H,5,10,15,17-20H2
• InChIKey: FFDYEBLFRMAKTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide
• IUPAC Traditional name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide
• Synonyms: N-{4-[(3-fluorobenzyl)oxy]benzyl}-1-phenyl-N-(tetrahydro-2-furanylmethyl)methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6413307
• LogD (pH = 7.4): 4.6413307
• Log P: 4.6413307
• Molar Refractivity: 126.7562 cm^3
• Polarizability: 49.84445 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.42
• LOG S: -5.82
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 9