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

Document Type : Research Paper

Authors

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

Abstract

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.

Keywords

Organic Chemistry Research
Volume 5, Issue 1
September 2019
Pages 32-41

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