The present study examines the synthesis of Schiff bases through the reaction between 2-hydroxy-5-nitrobenzaldehyde and sulfacetamide (N-(4-aminophenylsulfonyl)acetamide).The structure of the ligand and metal complexes (Cu+2, Ni+2, Co+2) was characterized using a variety of techniques, including elemental anal., magnetic susceptibility, molar conductivity, UV-Vis, FT-IR, NMR, and LC-MS/MS.The cytotoxic effects of the complexes and ligand were tested on three cell lines: human epidermoid carcinoma (HTB-54), lung adenocarcinoma (A549), and neuroblast (SH-SY5Y).Furthermore, the antibacterial capabilities of Schiff base and its metal complexes were evaluated against a range of bacterial strains, including B. cereus and S. aureus, as well as resistant gram-pos. and gram-neg. bacteria like S. typhimurium and E. coli, and fungi like C. albicans.In the computational chem. section, the physicochem. properties of the synthesized compounds, including EHOMO, ELUMO, ΔEGap, electrophilic index, chem. hardness, chem. potential, electrophilicity index, and chem. softness, were investigated using the B3LYP/6-31G* basis set of d. functional theory (DFT).