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

• ChemBase ID: 623064
• Molecular Formular: C15H19N3O3S2
• Molecular Mass: 353.45966
• Monoisotopic Mass: 353.08678348
• SMILES: S(=O)(=O)(c1cc(C(=O)N(C(c2nccs2)C)C)cc(c1C)C)N
• Canonical SMILES: CC(N(C(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C)C)c1nccs1
• InChI: InChI=1S/C15H19N3O3S2/c1-9-7-12(8-13(10(9)2)23(16,20)21)15(19)18(4)11(3)14-17-5-6-22-14/h5-8,11H,1-4H3,(H2,16,20,21)
• InChIKey: DVIIRKQMNNSFKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.175696
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.929133
• LogD (pH = 7.4): 1.928662
• Log P: 1.9293084
• Molar Refractivity: 90.812 cm^3
• Polarizability: 34.93432 Å^3
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -2.72
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 4