2026/07/01 by A. Kose, A. Köse
Biochemistry, Genetics and Molecular Biology · Chemistry · #Crystallography and molecular interactions #Metabolism, Diabetes, and Cancer #Molecular Sensors and Ion Detection
paper · doi:10.1134/s0022476626070024
crossref issued 2026/07/01 · crossref published 2026/07/01 · crossref published-print 2026/07/01 · openalex publication_date 2026/07/01 · crossref published-online 2026/07/30 · crossref created 2026/07/30 · openalex created_date 2026/07/31 · crossref deposited 2026/07/31 · crossref indexed 2026/07/31 · openalex updated_date 2026/08/01
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.