2-methoxy-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 449268
• Molecular Formular: C15H20N4O4S
• Molecular Mass: 352.4087
• Monoisotopic Mass: 352.12052614
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCCn2c(ncc2)C)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)NCCCn1ccnc1C)S(=O)(=O)N
• InChI: InChI=1S/C15H20N4O4S/c1-11-17-7-9-19(11)8-3-6-18-15(20)13-10-12(24(16,21)22)4-5-14(13)23-2/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,18,20)(H2,16,21,22)
• InChIKey: FDZFPUHMWXSYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-methoxy-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-methoxy-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.234154
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4270135
• LogD (pH = 7.4): -0.6596647
• Log P: -0.41412693
• Molar Refractivity: 89.9008 cm^3
• Polarizability: 34.738125 Å^3
• Polar Surface Area: 116.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.14
• LOG S: -2.96
• Polar Surface Area: 116.31 Å^2
• Rotatable Bonds: 7