Cash, Gordon G. published the artcilePrediction of inhibitory potencies of arenesulfonamides toward carbonic anhydrase using easily calculated molecular connectivity indices, Safety of 3-Acetylbenzenesulfonamide, the main research area is carbonic anhydrase inhibitor arenesulfonamide QSAR.
Previous literature reports described the correlation of arenesulfonamide inhibitory potency toward carbonic anhydrase with a quantum mech. descriptor, namely, the total charge on the sulfonamide oxygens, and an indicator variable. The present paper attempts to correlate the same inhibitory potency data with the much more easily calculated mol. connectivity indexes (MCIs) for the same set of compounds A good (r = 0.91) two-variable correlation was found for an subset, from which compounds with a certain structural characteristic had been excluded. This result is consistent with many previous reports that MCIs do well in predicting relative biol. activities of a homologous series of compounds but less well for groups of compounds that differ at several sites.
Structural Chemistry published new progress about QSAR (quantitative structure-activity relationship). 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Safety of 3-Acetylbenzenesulfonamide.
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