IUPAC name
3-[[(2,5-dichloro-4-ethoxyphenyl)methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
SMILES
CCOc1cc(c(cc1Cl)CS(=O)(=O)C1=NOC(C)(C)C1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
fenoxasulfone
IUPAC name
3-[[(2,5-dichloro-4-ethoxyphenyl)methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
SMILES
CCOc1cc(c(cc1Cl)CS(=O)(=O)C1=NOC(C)(C)C1)Cl
INCHI
InChI=1S/C14H17Cl2NO4S/c1-4-20-12-6-10(15)9(5-11(12)16)8-22(18,19)13-7-14(2,3)21-17-13/h5-6H,4,7-8H2,1-3H3
FORMULA
C14H17Cl2NO4S
Common name
fenoxasulfone
IUPAC name
3-[[(2,5-dichloro-4-ethoxyphenyl)methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
Molecular weight
366.260
clogP
4.297
clogS
-5.505
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
64.96
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF05223 | 2,5-dichlorophenol |
|
c1c(cc(c(c1)Cl)O)Cl | 0.0007 |
| FDBF06112 | 1,4-dichloro-2-[(dihydroxy-λ3-sulfanyl)methyl]benzene |
|
[S](O)(O)Cc1cc(ccc1Cl)Cl | 0.0003 |
| FDBF06113 | 5,5-dimethyl-1,2-oxazolidine |
|
C1CC(ON1)(C)C | 0.0010 |
6 ,
1
