A convenient synthesis, in silico study and crystal structure of novel sulfamidophosphonates: Interaction with SARS-CoV-2

•Seven derivatives of novel sulfamidophosphonates were synthesized under green conditions.•The structures of the new compounds were confirmed using spectroscopy methods (IR, NMR and EA).•The crystal structure of the compound 4a has been determined. Crystals belong to the orthorhombic system with space groups Pbca.•Molecular docking studies were carried out to give insights into the interactions of new sulfamidophosphonate derivatives into the binding sites of SARS-CoV2. A one-pot synthetic strategy was developed for the synthesis of novel sulfamidophosphonates via a three-component Kabachnik-Fields reaction of sulfanilamide, triethyl phosphite, and various aldehyde using ultrasound irradiation. Seven organophosphorus derivatives were synthesized with high yields through this newly developed method. The target compounds were characterized by 1H, 31P, 13C NMR, and IR. The molecular structure of 4a was obtained by X-ray diffraction on the monocrystal. Crystal belongs to the orthorhombic system with space groups Pbca. Insight into the binding mode of the synthesized compounds (ligand) into the binding sites of SARS-CoV2 (PDF code: 5R80) was provided by docking studies, performed with the help of Maestro 9.0 docking software. [Display omitted]