4-{2-[2-(4-methoxyphenyl)-1H-imidazol-1-yl]ethyl}benzene-1-sulfonamide

• ChemBase ID: 750939
• Molecular Formular: C18H19N3O3S
• Molecular Mass: 357.42676
• Monoisotopic Mass: 357.11471248
• SMILES: S(=O)(=O)(c1ccc(CCn2c(ncc2)c2ccc(cc2)OC)cc1)N
• Canonical SMILES: COc1ccc(cc1)c1nccn1CCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C18H19N3O3S/c1-24-16-6-4-15(5-7-16)18-20-11-13-21(18)12-10-14-2-8-17(9-3-14)25(19,22)23/h2-9,11,13H,10,12H2,1H3,(H2,19,22,23)
• InChIKey: ODWRGTLOUQJGGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[2-(4-methoxyphenyl)-1H-imidazol-1-yl]ethyl}benzene-1-sulfonamide
• IUPAC Traditional name: 4-{2-[2-(4-methoxyphenyl)imidazol-1-yl]ethyl}benzenesulfonamide
• Synonyms: 4-{2-[2-(4-methoxyphenyl)-1H-imidazol-1-yl]ethyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.391895
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9352068
• LogD (pH = 7.4): 2.539695
• Log P: 2.5647159
• Molar Refractivity: 106.9998 cm^3
• Polarizability: 38.310505 Å^3
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.97
• LOG S: -3.49
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 6