Decoding the Therapeutic Potential of Sulfonamide Esters: A Journey of Discovery

This study investigates the quantitative structure–property relationships of eight novel sulfonamide derivatives (I–VIII) by correlating their computed graph-based topological indices (TIs) with key physicochemical properties. Utilizing edge partitioning for topological index (TI) calculation and subsequent linear regression modeling, we aim to establish predictive models for properties. Our findings highlight the potential of TIs as valuable descriptors for understanding and predicting the pharmacological profiles of sulfonamide-based compounds relevant to enzyme inhibition, bactericidal, antiradical, antioxidant, antimicrobial, and antifungal activities, thereby advancing drug discovery and development.