2-methoxy-5-sulfamoyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

• ChemBase ID: 731133
• Molecular Formular: C13H15N3O4S2
• Molecular Mass: 341.4059
• Monoisotopic Mass: 341.05039798
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCc2ncsc2)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)NCCc1cscn1)S(=O)(=O)N
• InChI: InChI=1S/C13H15N3O4S2/c1-20-12-3-2-10(22(14,18)19)6-11(12)13(17)15-5-4-9-7-21-8-16-9/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H2,14,18,19)
• InChIKey: ICOSEHLJDVOGGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-sulfamoyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
• IUPAC Traditional name: 2-methoxy-5-sulfamoyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
• Synonyms: 5-(aminosulfonyl)-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.233562
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.19737607
• LogD (pH = 7.4): 0.19710456
• Log P: 0.1976722
• Molar Refractivity: 82.6524 cm^3
• Polarizability: 32.152348 Å^3
• Polar Surface Area: 111.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.08
• LOG S: -2.93
• Polar Surface Area: 111.38 Å^2
• Rotatable Bonds: 6