Abstract
The electronic structures of sulfonamide compounds and thiazide derivatives are calculated by means of the Huckel molecular orbital method. The electron densities at nitrogen atom positions in the NCN group of thiazide derivatives are parallel to their diuretic potency. A good correlation is found between the formal charge or the frontier electron density of the lowest vacant level at the amide group position in the sulphonamide group of all these compounds and their inhibitory action against carbonic anhydrase.
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