OBJECTIVE: Aim: This study focuses on developing and evaluating five newly created compounds targeting carbonic anhydrase isoforms found in solid tumors. Our primary goal is to create exceptionally potent anti-cancer drugs. PATIENTS AND METHODS: Materials and Methods: Sulfanilamide, chloroacetyl chloride, Gamma-aminobutyric acid, thionyl chloride, methanol, hydrazine hydrate, aromatic aldehyde derivatives, glacial acetic acid, and thioglycolic acid were used in the chemical synthesis. We performed docking studies using the Molecular Operating Environment software program version 2015.10, and used MTT assay to predict cytotoxic activity. RESULTS: Results: The compounds we developed demonstrated impressive antineoplastic action in both in silico experiments as well as cell line experiments. Their toxicity to normal cells varied significantly, but their efficacy against cancer cells differed significantly from cisplatin. When compared to acetazolamide, each of the produced compounds exhibited significant differences in their effects on MCF7 cells. Based on these findings, synthetic compounds may serve as antineoplastic medications. Including the thiazolidinone ring in these compounds enhanced their affinity for the receptor by binding to multiple crucial amino acids that play a significant role in our target's enzymatic activity and substrate binding. CONCLUSION: Conclusions: Our synthetic compounds revealed cytotoxicity and inhibitory potencies against carbonic anhydrase. Moreover, they exhibited cytotoxicity.