Sorption of Sulfonamide Antibiotics to Soil Organic Sorbents: Batch Experiments with Model Compounds and Computational Chemistry

Table 1

Selected physical-chemical properties from the literature cited in [3], p𝐾_a from [18], and molecular structures of the selected sulfonamides.

Compound CAS no. molecular weight	Elemental composition, structural formula	Physicochemical properties
	C6H8N2O2S
Sulfanilamide (SAA); 63-74-1; 172.20 g mol^−1		log𝐾ow −0.62; S^a 7500 mg L^−1; p𝑘a,1 1.94; p𝑘a,2 10.67
	C11H11N3O2S
Sulfapyridine (SPY); 144-83-2; 249.29 g mol^−1		log𝐾ow 0.35; S 268 mg L^−1; p𝑘a,1 2.72; p𝑘a,2 8.40
	C12H14N4O4S
Sulfadimethoxine (SDT); 122-11-2; 310.33 g mol^−1		log 𝐾ow 1.63; S 343 mg L^−1; p𝑘a,1 2.12; p𝑘a,2 7.28

^aWater solubility at 25°C.