N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

• ChemBase ID: 827543
• Molecular Formular: C24H21FN2O3S2
• Molecular Mass: 468.5635432
• Monoisotopic Mass: 468.09776276
• SMILES: S(=O)(=O)(N(Cc1ncccc1)Cc1ccc(OCc2cc(F)ccc2)cc1)c1sccc1
• Canonical SMILES: Fc1cccc(c1)COc1ccc(cc1)CN(S(=O)(=O)c1cccs1)Cc1ccccn1
• InChI: InChI=1S/C24H21FN2O3S2/c25-21-6-3-5-20(15-21)18-30-23-11-9-19(10-12-23)16-27(17-22-7-1-2-13-26-22)32(28,29)24-8-4-14-31-24/h1-15H,16-18H2
• InChIKey: ZULQGVPLYKGIAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
• Synonyms: N-{4-[(3-fluorobenzyl)oxy]benzyl}-N-(2-pyridinylmethyl)-2-thiophenesulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 8
• H Acceptors: 5
• H Donor: 0
• Log P: 4.72
• LOG S: -5.21
• Polar Surface Area: 59.5 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.978632
• LogD (pH = 7.4): 4.995102
• Log P: 4.995316
• Molar Refractivity: 122.1133 cm^3
• Polarizability: 48.031456 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 8