4-(cyclopropylsulfamoyl)-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide

• ChemBase ID: 685023
• Molecular Formular: C14H16N4O3S2
• Molecular Mass: 352.43184
• Monoisotopic Mass: 352.06638239
• SMILES: S(=O)(=O)(NC1CC1)c1ccc(C(=O)NCc2c(nns2)C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NC1CC1)NCc1snnc1C
• InChI: InChI=1S/C14H16N4O3S2/c1-9-13(22-18-16-9)8-15-14(19)10-2-6-12(7-3-10)23(20,21)17-11-4-5-11/h2-3,6-7,11,17H,4-5,8H2,1H3,(H,15,19)
• InChIKey: KADLAWUTGFGHQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylsulfamoyl)-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 4-(cyclopropylsulfamoyl)-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• Synonyms: 4-[(cyclopropylamino)sulfonyl]-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.887119
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.9198371
• LogD (pH = 7.4): 0.91860276
• Log P: 0.91985387
• Molar Refractivity: 87.5851 cm^3
• Polarizability: 33.48755 Å^3
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.55
• LOG S: -3.09
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 5