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Abstract <p>A novel 4-iodobenzenesulfonamide derivative of metformin is synthesized and structurally characterized using spectroscopic and single crystal X-ray diffraction techniques. FTIR analysis confirms the successful formation of the sulfonamide functionality while preserving the characteristic biguanide framework. The crystal structure revealed two crystallographically independent molecules with comparable geometries and pronounced π-electron delocalization within the biguanide fragment. The biguanide and phenyl ring planes adopt a nearly perpendicular arrangement, while the crystal packing is governed by intra- and intermolecular N–H⋯O and N–H⋯N hydrogen-bonding interactions together with I⋯I halogen contacts, generating stabilized supramolecular chain and ring motifs. Furthermore, the pharmacokinetic and drug-likeness properties of the synthesized compound are evaluated using the SwissADME platform. The results indicate favorable physicochemical characteristics, high predicted gastrointestinal absorption, good aqueous solubility, and compliance with major drug-likeness rules without violations. The compound is predicted to be non-permeable to the blood-brain barrier and not a substrate of P-glycoprotein, suggesting suitability for peripheral therapeutic applications.</p>

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Design, Synthesis and Pharmacokinetic Assessment of a 4-Iodobenzenesulfonamide Derivative of Metformin

  • 期刊论文

  • 发表日期：

    2026年7月30日

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  • A. Köse

摘要

Abstract

A novel 4-iodobenzenesulfonamide derivative of metformin is synthesized and structurally characterized using spectroscopic and single crystal X-ray diffraction techniques. FTIR analysis confirms the successful formation of the sulfonamide functionality while preserving the characteristic biguanide framework. The crystal structure revealed two crystallographically independent molecules with comparable geometries and pronounced π-electron delocalization within the biguanide fragment. The biguanide and phenyl ring planes adopt a nearly perpendicular arrangement, while the crystal packing is governed by intra- and intermolecular N–H⋯O and N–H⋯N hydrogen-bonding interactions together with I⋯I halogen contacts, generating stabilized supramolecular chain and ring motifs. Furthermore, the pharmacokinetic and drug-likeness properties of the synthesized compound are evaluated using the SwissADME platform. The results indicate favorable physicochemical characteristics, high predicted gastrointestinal absorption, good aqueous solubility, and compliance with major drug-likeness rules without violations. The compound is predicted to be non-permeable to the blood-brain barrier and not a substrate of P-glycoprotein, suggesting suitability for peripheral therapeutic applications.