Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	47
	Name:	4-amino-N-(pyrimidin-2-yl)benzene-1-sulfonamide
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Sulfadiazine
	Labels:
	CAS:	68-35-9
	InChi Code:	InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)

Properties

M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
4.51	experimental value
4.872	Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set)

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
3.64	experimental value
3.4399	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID7044130	US EPA CompTox Dashboard