IUPAC name
N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide
SMILES
COc1cc(nc(n1)NC(=O)NS(=O)(=O)c1c(cccn1)OCC(F)(F)F)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
trifloxysulfuron
IUPAC name
N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide
SMILES
COc1cc(nc(n1)NC(=O)NS(=O)(=O)c1c(cccn1)OCC(F)(F)F)OC
INCHI
InChI=1S/C14H14F3N5O6S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23)
FORMULA
C14H14F3N5O6S
Common name
trifloxysulfuron
IUPAC name
N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide
Molecular weight
437.351
clogP
0.693
clogS
-3.862
HBond Acceptor
10
HBond Donor
2
Total Polar Surface Area
145.12
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00357 | 3-methoxypyridine |
|
O(C)c1cnccc1 | 0.0007 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF00976 | 2,2,2-trifluoroethanol |
|
C(O)C(F)(F)F | 0.0034 |
| FDBF02913 | pyridin-3-ol |
|
n1cccc(c1)O | 0.0010 |
| FDBF06646 | 3-(2,2,2-trifluoroethoxy)pyridine |
|
c1ncccc1OCC(F)(F)F | 0.0003 |
7 ,
1
