CAS 917747-52-5

N-[4-(4-Ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

Description:

N-[4-(4-Ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is a chemical compound characterized by its complex structure, which includes a sulfonamide group and a triazole moiety. The presence of the sulfonamide functional group suggests potential applications in medicinal chemistry, particularly as an antibacterial or antifungal agent. The triazole ring contributes to its biological activity, often enhancing the compound's ability to interact with biological targets. The ethyl substitution on the triazole enhances lipophilicity, potentially improving its pharmacokinetic properties. This compound may exhibit specific solubility characteristics, stability under various conditions, and reactivity based on its functional groups. Its molecular interactions can be influenced by the presence of the aromatic phenyl groups, which may facilitate π-π stacking interactions in biological systems. Overall, this compound's unique structural features suggest it may have significant potential in pharmaceutical applications, warranting further investigation into its biological activity and therapeutic efficacy.

Formula: C₁₆H₁₆N₄O₂S₂

InChI: InChI=1S/C16H16N4O2S2/c1-2-20-15(17-18-16(20)23)12-8-10-13(11-9-12)19-24(21,22)14-6-4-3-5-7-14/h3-11,19H,2H2,1H3,(H,18,23)

InChI key: InChIKey=ZZNYCTOQKMUOKE-UHFFFAOYSA-N

SMILES: C(C)N1C(=NNC1=S)C2=CC=C(NS(=O)(=O)C3=CC=CC=C3)C=C2

Synonyms:

• N-[4-(4-Ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
• Benzenesulfonamide, N-[4-(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-