CAS 1061214-09-2

4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide

Description:

4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide, identified by its CAS number 1061214-09-2, is a synthetic organic compound characterized by its complex structure, which includes a sulfonamide group and a trifluoromethyl moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical research. The presence of the sulfonamide functional group suggests possible applications in medicinal chemistry, particularly in the development of antimicrobial agents or enzyme inhibitors. Additionally, the trifluoromethyl group can enhance lipophilicity and metabolic stability, which are desirable traits in drug design. The compound's molecular structure may also contribute to its reactivity and interaction with biological targets. Overall, this substance represents a class of compounds that may have significant implications in drug discovery and development, although specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₁₇H₁₅F₃N₂O₃S

InChI: InChI=1S/C17H15F3N2O3S/c1-11-2-4-12(5-3-11)15(23)10-16(17(18,19)20)22-13-6-8-14(9-7-13)26(21,24)25/h2-9H,10H2,1H3,(H2,21,24,25)

InChI key: InChIKey=UZXBSHCYSOVOFX-UHFFFAOYSA-N

SMILES: C(=NC1=CC=C(S(N)(=O)=O)C=C1)(CC(=O)C2=CC=C(C)C=C2)C(F)(F)F

Synonyms:

• Benzenesulfonamide, 4-[[3-(4-methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]-
• 4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide

4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoroMethyl)propylidene]aMino]benzenesulfonaMide

CAS: 1061214-09-2

Formula: C₁₇H₁₅F₃N₂O₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 384.3728

Ref: IN-DA008VXW

Celecoxib Impurity 14 (Mixture of Z and E Isomers)

CAS: 1061214-09-2

Formula: C₁₇H₁₅F₃N₂O₃S

Color and Shape: Yellow Solid

Molecular weight: 384.37

Ref: 4Z-C-0315

Celecoxib diketo schiff's base-II

CAS: 1061214-09-2

Formula: C₁₇H₁₅F₃N₂O₃S

Molecular weight: 384.37

Ref: ST-EA-CP-C13011

4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide

Controlled Product

CAS: 1061214-09-2

Applications 4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide, is an impurity of Celecoxib (C251000), which is a selective cyclooxygenase-2 (COX-2) inhibitor, an anti-inflammatory agent. It is also used in treatment of familial adenomatous polyposis.
References Simon, L.S., et al.: Arthritis Rheum., 41, 1591 (1998), Silverstein, F.E., et al.: J. Am. Med. Assoc., 284, 1247 (2000), Steinbach, G., et al.: N. Engl. J. Med., 342, 1946 (2000),

Formula: C₁₇H₁₅F₃N₂O₃S

Color and Shape: Yellow

Molecular weight: 384.37

Ref: TR-M327010