N-{4-[2-(3-acetylphenyl)-1H-imidazol-1-yl]-2-methoxyphenyl}methanesulfonamide

• ChemBase ID: 403431
• Molecular Formular: C19H19N3O4S
• Molecular Mass: 385.43686
• Monoisotopic Mass: 385.1096271
• SMILES: n1(c(ncc1)c1cc(C(=O)C)ccc1)c1cc(c(NS(=O)(=O)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1NS(=O)(=O)C)n1ccnc1c1cccc(c1)C(=O)C
• InChI: InChI=1S/C19H19N3O4S/c1-13(23)14-5-4-6-15(11-14)19-20-9-10-22(19)16-7-8-17(18(12-16)26-2)21-27(3,24)25/h4-12,21H,1-3H3
• InChIKey: GAJXGWATONMTHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(3-acetylphenyl)-1H-imidazol-1-yl]-2-methoxyphenyl}methanesulfonamide
• IUPAC Traditional name: N-{4-[2-(3-acetylphenyl)imidazol-1-yl]-2-methoxyphenyl}methanesulfonamide
• Synonyms: N-{4-[2-(3-acetylphenyl)-1H-imidazol-1-yl]-2-methoxyphenyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.363187
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1244743
• LogD (pH = 7.4): 1.5201749
• Log P: 1.534296
• Molar Refractivity: 122.6572 cm^3
• Polarizability: 41.07477 Å^3
• Polar Surface Area: 90.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.77
• LOG S: -4.38
• Polar Surface Area: 90.29 Å^2
• Rotatable Bonds: 5