Modeling of Anticancer Sulfonamide Derivatives Lipophilicity by Chemometric and Quantitative Structure-Retention Relationships Approaches

Sulfonamides are a classic group of chemotherapeutic drugs with a broad spectrum of pharmacological action also included anticancer activity. In this work, RP-HPLC and IAM-HPLC were applied to characterize the lipophilicity of sulfonamide derivatives with proven anticancer ac-tivities against human colon cancer. Chromatographic determined lipophilicity parameters have been compared with logP obtained employing various computational approaches. Similarities and dissimilarities between experimental and computational logP were studied using principal component analysis, cluster analysis, and sum ranking of differences. Furthermore, Quantitative Structure–Retention Relationship (QSRR) models, which allow for predicting the retention indices or lipophilicity of these classes of chemical compounds, have been proposed.