An Experimental Study to Biological Activity and Synthesis; and Theoretical Study for MEP, HOMO/LUMO Analysis and Molecular Docking of N-(2-pyridyl)-para-styrene Sulfonamides
نویسندگان
1 Department of Chemistry, Faculty of Science, Lorestan University, Khoramabad
2 Department of Chemistry Faculty of Science Lorestan University, 68137-17133 Khorramabad Iran
3 Department of Chemistry, Isfahan University of Technology
doi
10.22036/org.chem.2018.118054.1124چکیده
A combined experimental and theoretical investigation has been reported on N-(2-pyridyl)-para-styrene sulfonamide (abbreviated as PSS). This compound synthesized from the reaction of para-styrene sulfonyl chloride and 2- amino pyridine. The PSS was confirmed using FT-IR, 1H-NMR spectroscopy. MEP and HOMO-LUMO analysis of the PSS have been investigated using DFT method. The PSS is investigated against Staphylococcus aureus and Escherichia coli. Molecular Docking study is also reported.
