N-benzyl-3-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]benzamide

• ChemBase ID: 528346
• Molecular Formular: C19H20N4O3S
• Molecular Mass: 384.4521
• Monoisotopic Mass: 384.12561152
• SMILES: S(=O)(=O)(N(Cc1ncc[nH]1)C)c1cc(C(=O)NCc2ccccc2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(Cc1ncc[nH]1)C)NCc1ccccc1
• InChI: InChI=1S/C19H20N4O3S/c1-23(14-18-20-10-11-21-18)27(25,26)17-9-5-8-16(12-17)19(24)22-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,20,21)(H,22,24)
• InChIKey: AMIAUPUUQBEXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-benzyl-3-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]benzamide
• Synonyms: N-benzyl-3-{[(1H-imidazol-2-ylmethyl)(methyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.568515
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8852637
• LogD (pH = 7.4): 1.4809746
• Log P: 1.5045878
• Molar Refractivity: 103.4914 cm^3
• Polarizability: 39.97073 Å^3
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.36
• LOG S: -4.02
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 6