IUPAC name
N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)benzenesulfonamide
SMILES
COc1[nH]c(C(F)(F)F)n/c(=NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)/n1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
tritosulfuron
IUPAC name
N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)benzenesulfonamide
SMILES
COc1[nH]c(C(F)(F)F)n/c(=NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)/n1
INCHI
InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
FORMULA
C13H9F6N5O4S
Common name
tritosulfuron
IUPAC name
N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)benzenesulfonamide
Molecular weight
445.297
clogP
2.926
clogS
-4.468
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
129.89
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF06659 | 1-(dihydroxy-λ3-sulfanyl)-2-(trifluoromethyl)benzene |
|
[S](O)(O)c1c(cccc1)C(F)(F)F | 0.0003 |
6 ,
1
