Benzoic acid,2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]- (74223-56-6)

The IUPAC name of Sulfometuron is 2-[(4,6-Dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid. With the CAS registry number 74223-56-6, it is also named as Benzoic acid,2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-. The product's classification codes are agricultural chemical and herbicide. In addition, its molecular formula is C₁₄H₁₄N₄O₅S and its molecular weight is 350.35. 

The other characteristics of Sulfometuron can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -2.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 9; (10)H bond donors: 3; (11)Freely Rotating Bonds: 2; (12)XLogP3-AA: 1.5; (13)Rotatable Bond Count: 4; (14)Tautomer Count: 13; (15)Exact Mass: 350.06849; (16)MonoIsotopic Mass: 350.06849; (17)Heavy Atom Count: 24; (18)Complexity: 566; (19)Polar Surface Area: 118.15 Å²; (20)Index of Refraction: 1.636; (21)Molar Refractivity: 83.45 cm³; (22)Molar Volume: 232.5 cm³; (23)Polarizability: 33.08×10^-24cm³; (24)Surface Tension: 76.1 dyne/cm; (25)Density: 1.506 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(Nc1nc(cc(n1)C)C)NS(=O)(=O)c2ccccc2C(=O)O
(2)InChI:InChI=1/C14H14N4O5S/c1-8-7-9(2)16-13(15-8)17-14(21)18-24(22,23)11-6-4-3-5-10(11)12(19)20/h3-7H,1-2H3,(H,19,20)(H2,15,16,17,18,21)
(3)InChIKey:FZMKKCQHDROFNI-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C14H14N4O5S/c1-8-7-9(2)16-13(15-8)17-14(21)18-24(22,23)11-6-4-3-5-10(11)12(19)20/h3-7H,1-2H3,(H,19,20)(H2,15,16,17,18,21)
(5)Std. InChIKey:FZMKKCQHDROFNI-UHFFFAOYSA-N

The toxicity data is as follows: