Structural analysis of medicinal compound is important for understanding of the compound and its interaction as a medicine. In the present paper, the chemical studies on Suphamethoxazole (C10H11N3O3S) carried out by Gaussian 09 software to determine total energy, molecular energies and atomic mass distributions and also calculate the bond lengths bond angles and torsional angles. And its structural analysis using X-ray technique has been done after growing it with slow evaporation using methanol as a solvent