IUPAC name
N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILES
CN(c1c(cccc1F)C(=O)c1nc(nc(n1)OC)OC)S(=O)(=O)C(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
triafamone
IUPAC name
N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILES
CN(c1c(cccc1F)C(=O)c1nc(nc(n1)OC)OC)S(=O)(=O)C(F)F
INCHI
InChI=1S/C14H13F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,12H,1-3H3
FORMULA
C14H13F3N4O5S
Common name
triafamone
IUPAC name
N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
Molecular weight
406.337
clogP
1.237
clogS
-3.999
HBond Acceptor
8
HBond Donor
0
Total Polar Surface Area
111.58
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00370 | difluoromethane |
|
FCF | 0.0151 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
CN[S](O)O | 0.0038 |
| FDBF01062 | 1,3,5-triazine |
|
n1cncnc1 | 0.0014 |
| FDBF05082 | 1,1-difluoro-N-methylmethanesulfonamide |
|
CNS(=O)(=O)C(F)F | 0.0007 |
| FDBF06628 | N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline |
|
c1(c(cccc1)F)N(C)[S](O)O | 0.0003 |
| FDBF06629 | 3-fluorobenzaldehyde |
|
C(=O)c1cc(ccc1)F | 0.0003 |
| FDBF06631 | 1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide |
|
C(F)(F)S(=O)(=O)N(c1c(cccc1)F)C | 0.0003 |
8 ,
1
