CAS 748777-76-6

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

Description:

The chemical substance known as 3-[4-(1,5-Dimethylhexyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)benzenesulfonamide, with the CAS number 748777-76-6, is a synthetic organic compound that belongs to the class of sulfonamides. It features a complex molecular structure characterized by a triazole ring, which contributes to its potential biological activity. The presence of a sulfonamide group suggests that it may exhibit antimicrobial properties, as many sulfonamides are known for their use as antibiotics. The compound also contains a methoxyphenyl moiety, which can influence its solubility and interaction with biological targets. Additionally, the dimethylhexyl substituent may enhance lipophilicity, potentially affecting its pharmacokinetics. Overall, this compound's unique structural features may confer specific biological activities, making it of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₂₃H₃₀N₄O₃S₂

InChI: InChI=1S/C23H30N4O3S2/c1-16(2)9-7-10-17(3)27-22(24-25-23(27)31)18-11-8-12-19(15-18)32(28,29)26-20-13-5-6-14-21(20)30-4/h5-6,8,11-17,26H,7,9-10H2,1-4H3,(H,25,31)

InChI key: InChIKey=SQVWTHMJQRKTDD-UHFFFAOYSA-N

SMILES: C(CCCC(C)C)(C)N1C(=NNC1=S)C2=CC(S(NC3=C(OC)C=CC=C3)(=O)=O)=CC=C2

Synonyms:

• 3-[4-(1,5-Dimethylhexyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)benzenesulfonamide
• Benzenesulfonamide, 3-[4-(1,5-dimethylhexyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)-