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

• ChemBase ID: 827792
• Molecular Formular: C20H24FNO4S
• Molecular Mass: 393.4722632
• Monoisotopic Mass: 393.14100747
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1ccc(OCc2cc(F)ccc2)cc1)C
• Canonical SMILES: Fc1cccc(c1)COc1ccc(cc1)CN(S(=O)(=O)C)CC1CCCO1
• InChI: InChI=1S/C20H24FNO4S/c1-27(23,24)22(14-20-6-3-11-25-20)13-16-7-9-19(10-8-16)26-15-17-4-2-5-18(21)12-17/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3
• InChIKey: UAAKCJVQZLGXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7646685
• LogD (pH = 7.4): 2.7646685
• Log P: 2.7646685
• Molar Refractivity: 102.0198 cm^3
• Polarizability: 40.286457 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.85
• LOG S: -3.95
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7