IUPAC name
(2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
SMILES
Cc1ccc(cc1)S(=O)(=O)Oc1c(c(C)nn1C)C(=O)c1ccc(cc1Cl)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyrazolynate
IUPAC name
(2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
SMILES
Cc1ccc(cc1)S(=O)(=O)Oc1c(c(C)nn1C)C(=O)c1ccc(cc1Cl)Cl
INCHI
InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
FORMULA
C19H16Cl2N2O4S
Common name
pyrazolynate
IUPAC name
(2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
Molecular weight
439.312
clogP
4.073
clogS
-6.279
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
78.26
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF05748 | 2,5-dimethyl-4H-pyrazol-3-one |
|
C1(=O)N(N=C(C1)C)C | 0.0014 |
| FDBF05751 | (4R)-1,3-dimethyl-5-oxo-4H-pyrazole-4-carbaldehyde |
|
C(=O)[C@@H]1C(=O)N(N=C1C)C | 0.0014 |
| FDBF06463 | 1-(dihydroxy-λ3-sulfanyl)-4-methylbenzene |
|
[S](O)(O)c1ccc(C)cc1 | 0.0003 |
| FDBF06464 | 4-methylbenzenesulfonic acid |
|
S(=O)(=O)(O)c1ccc(C)cc1 | 0.0007 |
9 ,
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