IUPAC name
2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]benzoic acid
SMILES
COc1cc(nc(n1)NC(=O)NS(=O)(=O)c1cc(ccc1C(=O)O)CNS(=O)(=O)C)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
mesosulfuron
IUPAC name
2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]benzoic acid
SMILES
COc1cc(nc(n1)NC(=O)NS(=O)(=O)c1cc(ccc1C(=O)O)CNS(=O)(=O)C)OC
INCHI
InChI=1S/C16H19N5O9S2/c1-29-12-7-13(30-2)19-15(18-12)20-16(24)21-32(27,28)11-6-9(8-17-31(3,25)26)4-5-10(11)14(22)23/h4-7,17H,8H2,1-3H3,(H,22,23)(H2,18,19,20,21,24)
FORMULA
C16H19N5O9S2
Common name
mesosulfuron
IUPAC name
2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]benzoic acid
Molecular weight
489.480
clogP
-1.301
clogS
-3.292
HBond Acceptor
12
HBond Donor
4
Total Polar Surface Area
206.47
Number of Rings
2
Rotatable Bond
10
