IUPAC name
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
SMILES
Cc1c(C(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F)c(n(C)n1)O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyrasulfotole
IUPAC name
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
SMILES
Cc1c(C(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F)c(n(C)n1)O
INCHI
InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3
FORMULA
C14H13F3N2O4S
Common name
pyrasulfotole
IUPAC name
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
Molecular weight
362.324
clogP
2.262
clogS
-3.772
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
89.26
Number of Rings
2
Rotatable Bond
4
