Novel sulfonylureas will be synthesized in our laboratuary. It will be argued that it was substitute the pyrimidinone group, that known herbicidial activity with related literature and patent, since increasing the effect. May these novel products have better activity toward other activities, such as anti-microbial, anti-malaria etc.? To discuss this, computational programs will be used ,i.e. Schrödinger Suite (2021). Their organometallic forms will be computed with Schrödinger suite (2021). According to these data, it will be discussed their better results for anti-malaria activity with respect to non-covalent interactions. These multi-functional activity will be demonstrated before experimental results. It will be compared their theoretical and experimental herbicidial activity results, as an AHAS enzyme inhibitor.