The novel ligand N‐[4‐(5‐methylisoxazol‐3‐ylsulfamoyl)phenyl]acrylamide (HL) was prepared via amidation of 4‐amino‐N‐(5‐methylisoxazol‐3‐yl)benzenesulfonamide with acryloyl chloride in benzene as solvent. Polymeric complexes with HL were prepared and characterized using elemental analysis, spectral studies (infrared, mass, UV–visible and electron paramagnetic resonance), powder X‐ray diffraction, thermal analysis, molar conductivity and magnetic susceptibility. Infrared spectral studies reveal that HL behaves as a neutral bidentate ligand. Powder X‐ray diffraction patterns of HL and polymer complexes show many diffraction peaks which indicate polycrystalline phases. Based on magnetic moment and solid reflectance measurements, the polymer complexes have square planar and octahedral geometries. Molecular docking was used to predict the binding between HL and the receptors of 3hb5‐oxidoreductase (breast cancer) and 2q7k‐hormone (prostate cancer).