4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]-Benzenesulfonamide
[CAS 194044-54-7]

Identification

• Name: 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]-Benzenesulfonamide
• Synonyms: 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1-Pyrazolyl]Benzenesulfonamide; Spectrum3_001996; 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Benzenesulfonamide
• Molecular Formula: C₁₇H₁₄F₃N₃O₂S
• Molecular Weight: 381.37
• CAS Registry Number: 194044-54-7
• SMILES: C2=C([N](C1=CC=C([S](N)(=O)=O)C=C1)N=C2C(F)(F)F)C3=CC=C(C=C3)C
• InChI: 1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
• InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 529.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 273.7±32.9°C (Cal.)
• solubility: Soluble to 25 mM in DMSO and to 50 mM in ethanol

References

• (1): Zhangjian Huang, Carlos Velázquez, Khaled Abdellatif, Morshed Chowdhury, Sarthak Jain, Julie Reisz, Jenna DuMond, S. Bruce King and Edward Knaus. Acyclic triaryl olefins possessing a sulfohydroxamic acid pharmacophore: synthesis, nitric oxide/nitroxyl release, cyclooxygenase inhibition, and anti-inflammatory studies, Org. Biomol. Chem., 2010, 8, 4124.