N-cyclopropyl-4-sulfamoyl-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 824851
• Molecular Formular: C14H15N3O3S2
• Molecular Mass: 337.4172
• Monoisotopic Mass: 337.05548336
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(C2CC2)Cc2nccs2)cc1)N
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H15N3O3S2/c15-22(19,20)12-5-1-10(2-6-12)14(18)17(11-3-4-11)9-13-16-7-8-21-13/h1-2,5-8,11H,3-4,9H2,(H2,15,19,20)
• InChIKey: ZXYUBUQWJJRGRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-sulfamoyl-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-sulfamoyl-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: 4-(aminosulfonyl)-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.940615
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7990585
• LogD (pH = 7.4): 0.7981571
• Log P: 0.7992659
• Molar Refractivity: 83.4469 cm^3
• Polarizability: 32.539944 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: 0.39
• LOG S: -1.99
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 5