N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-sulfamoylbenzamide

• ChemBase ID: 695992
• Molecular Formular: C15H18N4O3S
• Molecular Mass: 334.39342
• Monoisotopic Mass: 334.10996146
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2n(ccn2)C)C2CC2)cc1)N
• Canonical SMILES: O=C(N(C1CC1)Cc1nccn1C)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H18N4O3S/c1-18-9-8-17-14(18)10-19(12-4-5-12)15(20)11-2-6-13(7-3-11)23(16,21)22/h2-3,6-9,12H,4-5,10H2,1H3,(H2,16,21,22)
• InChIKey: ZPIYMPRMMGPBTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.940518
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3027696
• LogD (pH = 7.4): 0.22692221
• Log P: 0.24567915
• Molar Refractivity: 86.09 cm^3
• Polarizability: 33.300926 Å^3
• Polar Surface Area: 98.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.85
• LOG S: -2.22
• Polar Surface Area: 98.29 Å^2
• Rotatable Bonds: 5