2-(1H-imidazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

• ChemBase ID: 654731
• Molecular Formular: C18H18N4O3S
• Molecular Mass: 370.42552
• Monoisotopic Mass: 370.10996146
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)c1c(c2ncc[nH]2)cccc1)N
• Canonical SMILES: O=C(c1ccccc1c1ncc[nH]1)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C18H18N4O3S/c19-26(24,25)14-7-5-13(6-8-14)9-10-22-18(23)16-4-2-1-3-15(16)17-20-11-12-21-17/h1-8,11-12H,9-10H2,(H,20,21)(H,22,23)(H2,19,24,25)
• InChIKey: KJJJNLQERHZIBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• IUPAC Traditional name: 2-(1H-imidazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-(1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.220651
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0067852
• LogD (pH = 7.4): 1.5534635
• Log P: 1.5730275
• Molar Refractivity: 109.615 cm^3
• Polarizability: 38.798542 Å^3
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.09
• LOG S: -3.29
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 6