The effect of solvent on the solubility of sulfachloropyridazine was studied by making a correlation between the solubility values and solvent’s descriptors for solvent–solute and solvent–solvent interactions with the help of linear solvation energy relationships concept. From analysis of the molecular structure of sulfachloropyridazine, the variation of solubility was well explained in terms of the change in hydrogen bond basicity of mixtures when the mole fraction of methanol (or ethanol or isopropanol) increased in all aqueous binary solvent mixtures. The preferential solvation analysis of sulfachloropyridazine in the three aqueous co-solvent solutions of isopropanol, ethanol and methanol was carried out from solubility values through the method of inverse Kirkwood–Buff integrals. In water-rich compositions of the aqueous co-solvent solutions, the δx1,3 values are negative, indicating that the sulfachloropyridazine was solvated preferentially by the solvent water. In intermediate and alcohol-rich compositions, sulfachloropyridazine was preferentially solvated by the isopropanol, ethanol or methanol. The magnitude of preferential solvation of sulfachloropyridazine is greater in isopropanol solutions than in the other two co-solvent solutions. Analysis results of the KAT-LSER and IKBI methods indicate that the solute mainly acts as a Lewis acid through its –NH2 and > NH functionalities. In addition, the enthalpy, Gibbs energy and entropy of transfer were obtained, which demonstrated that the solubilization ability was more favorable in intermediate composition of the alcohols.

中文翻译：

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磺胺氯哒嗪在某些醇类共溶剂水溶液中的优先溶剂化、转移性能及溶剂效应研究

借助线性溶剂化能关系概念，通过在溶解度值与溶剂-溶质和溶剂-溶剂相互作用的描述子之间建立相关性，研究了溶剂对磺胺氯哒嗪溶解度的影响。从磺胺氯哒嗪的分子结构分析可知，当甲醇（或乙醇或异丙醇）在所有水性二元溶剂混合物中的摩尔分数增加时，混合物的氢键碱度变化很好地解释了溶解度的变化。磺胺氯哒嗪在异丙醇、乙醇和甲醇的三种共溶剂水溶液中的优先溶剂化分析是通过逆柯克伍德-布夫积分方法从溶解度值进行的。在含水共溶剂溶液的富水组合物中，δx1,3 值为负，表明磺胺氯哒嗪优先被溶剂水溶剂化。在中间体和富含酒精的组合物中，磺胺氯哒嗪优先被异丙醇、乙醇或甲醇溶剂化。磺胺氯哒嗪在异丙醇溶液中的优先溶剂化程度大于其他两种共溶剂溶液。KAT-LSER 和 IKBI 方法的分析结果表明，溶质主要通过其 -NH2 和 > NH 官能团充当路易斯酸。此外，还得到了焓、吉布斯能和转移熵，表明醇类中间体的增溶能力更好。表明磺胺氯哒嗪优先被溶剂水溶剂化。在中间体和富含酒精的组合物中，磺胺氯哒嗪优先被异丙醇、乙醇或甲醇溶剂化。磺胺氯哒嗪在异丙醇溶液中的优先溶剂化程度大于其他两种共溶剂溶液。KAT-LSER 和 IKBI 方法的分析结果表明，溶质主要通过其 -NH2 和 > NH 官能团充当路易斯酸。此外，还得到了焓、吉布斯能和转移熵，表明醇类中间体的增溶能力更好。表明磺胺氯哒嗪优先被溶剂水溶剂化。在中间体和富含酒精的组合物中，磺胺氯哒嗪优先被异丙醇、乙醇或甲醇溶剂化。磺胺氯哒嗪在异丙醇溶液中的优先溶剂化程度大于其他两种共溶剂溶液。KAT-LSER 和 IKBI 方法的分析结果表明，溶质主要通过其 -NH2 和 > NH 官能团充当路易斯酸。此外，还得到了焓、吉布斯能和转移熵，表明醇类中间体的增溶能力更好。乙醇或甲醇。磺胺氯哒嗪在异丙醇溶液中的优先溶剂化程度大于其他两种共溶剂溶液。KAT-LSER 和 IKBI 方法的分析结果表明，溶质主要通过其 -NH2 和 > NH 官能团充当路易斯酸。此外，还得到了焓、吉布斯能和转移熵，表明醇类中间体的增溶能力更好。乙醇或甲醇。磺胺氯哒嗪在异丙醇溶液中的优先溶剂化程度大于其他两种共溶剂溶液。KAT-LSER 和 IKBI 方法的分析结果表明，溶质主要通过其 -NH2 和 > NH 官能团充当路易斯酸。此外，还得到了焓、吉布斯能和转移熵，表明醇类中间体的增溶能力更好。