Antibacterial Activity and Global Reactivity Descriptors of some Newly Synthesized Unsymmetrical Sulfamides

Abstract

In the present study a series of unsymmetric linear sulfamides (1-9) starting from a primary amine were synthesized and their structures were confirmed by elemental analyses, mass spectrometry and 1 H NMR techniques. All the synthesized compounds were screened for their antibacterial activities by both disc diusion and minimal inhibition concentration (MIC) methods. Frontier molecular orbital (FMO) analysis and global reactivity descriptors have been performed using the density functional theory (DFT) with the B3LYP functional. The results indicated that these derivatives, depending of their substituted radical, bring about an improvement in the bacterial activity.

4‐(4‐Bromophenyl)thiazol‐2‐amine: Crystal structure determination, DFT calculations, visualizing intermolecular interactions using Hirshfeld surface analysis, and DNA binding studies

“…The chemical potential (μ) was computed negative which indicated that this compound does not decompose spontaneously into the compounds from which it is made up of . The small value of hardness (η) and a large value of softness (S) indicated that the system is polarizable, which was further confirmed by the large value of computed dipole moment . These values together with small HOMO‐LUMO gap (ΔE) and negative binding energy confirmed that the title compound is polarizable and reactive in nature, hence could bind with DNA …”

“…Since a strong nucleophile is characterized by a lower value of chemical potential and electrophilicity index, the obtained values point towards the reactive nature of the title compound. The chemical potential (μ) was computed negative which indicated that this compound does not decompose spontaneously into the compounds from which it is made up of . The small value of hardness (η) and a large value of softness (S) indicated that the system is polarizable, which was further confirmed by the large value of computed dipole moment .…”

“…In general, the assignment of C–S band in infrared is difficult, due to variable intensity band (1250‐250 cm −1 ). Moreover, C–S band is less polar compared with carbonyl group; as a consequence, it falls in lower frequency and weak band and it is also prone to coupling effects . The absorption of the C–S group connected with other groups usually appears between 1250 and 1050 cm −1 .…”

Bazı 3-imino-4-sübstitüe-1,2,5-tiroidyazolidin 1,1-dioksitlerin antibakteriyel etkisi

“…On the other example, Bendjeddou et al (2016), sulfamides derivatives containing thiophene, pyridine, benzyl, and isopentyl alkyl end revealed that the majority of the synthesized compounds were fairly active against all tested bacteria. These compounds exhibited a broad spectrum of activity with inhibition zones values 13-36 mm against Enterobacteriaceae and S. aureus [30].…”

Sulfonamide Derived Esters: Synthesis, Characterization, Density Functional Theory and Biological Evaluation through Experimental and Theoretical Approach

“…[6][7][8][9] Sulfonamides form the foundation for the first drugs mainly employed as preventive and chemotherapeutic agents against different ailments. 10 Sulfa drugs, having sulfonamide functionality, revolutionized the medicinal field due to their extensive biological activities. 11 Folic acid, an important compound for synthesis of bacterial nucleic acids, is inhibited by sulfonamides which ultimately leads to death of bacterial cells.…”