N,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-sulfamoylbenzamide

• ChemBase ID: 714837
• Molecular Formular: C15H19N3O3S2
• Molecular Mass: 353.45966
• Monoisotopic Mass: 353.08678348
• SMILES: S(=O)(=O)(c1cc(C(=O)N(CCc2c(ncs2)C)C)c(cc1)C)N
• Canonical SMILES: CN(C(=O)c1cc(ccc1C)S(=O)(=O)N)CCc1scnc1C
• InChI: InChI=1S/C15H19N3O3S2/c1-10-4-5-12(23(16,20)21)8-13(10)15(19)18(3)7-6-14-11(2)17-9-22-14/h4-5,8-9H,6-7H2,1-3H3,(H2,16,20,21)
• InChIKey: XZZIMPNQTBNCPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.189062
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3260913
• LogD (pH = 7.4): 1.3257982
• Log P: 1.3264271
• Molar Refractivity: 91.1909 cm^3
• Polarizability: 34.92643 Å^3
• Polar Surface Area: 93.36 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: 0.28
• LOG S: -3.33
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 5