4-(1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Ylsulfamoyl)-Benzoic Acid
[CAS# 31816-70-3]

Identification

• Name: 4-(1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Ylsulfamoyl)-Benzoic Acid
• Synonyms: 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)Sulfamoyl]Benzoate; 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)Sulfamoyl]Benzoate; 4-[(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Sulfamoyl]Benzoate
• Molecular Formula: C₁₈H₁₆N₃O₅S
• Molecular Weight: 386.40
• CAS Registry Number: 31816-70-3
• SMILES: C3=C([S](=O)(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C=CC(=C3)C([O-])=O
• InChI: 1S/C18H17N3O5S/c1-12-16(17(22)21(20(12)2)14-6-4-3-5-7-14)19-27(25,26)15-10-8-13(9-11-15)18(23)24/h3-11,19H,1-2H3,(H,23,24)/p-1
• InChIKey: CBGBGFKYQBHAAV-UHFFFAOYSA-M

Properties

• Boiling point: 569.578°C at 760 mmHg (Cal.)
• Flash point: 298.27°C (Cal.)