Biological Activity Calculated by the PASS Method and Experimental Assessment of the Acidity of NH Groups in Sulphonamide Polychloroethylated Arenes and Glycine derivatives in Dimethyl Sulfoxide Medium
D. O. TKACHUK1, YU. A. AIZINA1,2, N. S. SHAGLAEVA1
1Irkutsk National Research Technical University, Irkutsk, Russia
2A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia
Keywords: sulphamides, sulphonamides, glycine derivatives, acidity of NH groups, dissociation constants, potentiometric titration, PASS, biological activity
Abstract
The acidity of NH-groups of a number of sulphonamides and glycine derivatives in a dimethyl sulphoxide medium has been investigated using the potentiometric method. Dissociation constants of these compounds are determined from titration curves. It is shown that the acidity of NH groups in the studied sulphonamides is controlled by the polar effect of substituents. The possibility of quantitative potentiometric analysis of glycine derivatives has been established for the first time. Biological activity has been predicted with the help of PASS software. The correlation of NH group acidity with the biological potential of the compounds has been established.
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