IUPAC name
N-(5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-3-pyridinesulfonamide
SMILES
COc1cc(n2c(n1)nc(=NS(=O)(=O)c1c(ccnc1OC)C(F)(F)F)[nH]2)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyroxsulam
IUPAC name
N-(5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-3-pyridinesulfonamide
SMILES
COc1cc(n2c(n1)nc(=NS(=O)(=O)c1c(ccnc1OC)C(F)(F)F)[nH]2)OC
INCHI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
FORMULA
C14H13F3N6O5S
Common name
pyroxsulam
IUPAC name
N-(5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-3-pyridinesulfonamide
Molecular weight
434.350
clogP
1.181
clogS
-4.169
HBond Acceptor
8
HBond Donor
1
Total Polar Surface Area
133.06
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF04222 | 2-methoxypyridine |
|
O(C)c1ncccc1 | 0.0017 |
| FDBF06510 | 3-(dihydroxy-λ3-sulfanyl)pyridine |
|
c1(cnccc1)[S](O)O | 0.0007 |
| FDBF06511 | 4-(trifluoromethyl)pyridine |
|
c1cnccc1C(F)(F)F | 0.0003 |
| FDBF06512 | 3-(dihydroxy-λ3-sulfanyl)-4-(trifluoromethyl)pyridine |
|
c1(cnccc1C(F)(F)F)[S](O)O | 0.0003 |
| FDBF06513 | 2-methoxy-4-(trifluoromethyl)pyridine |
|
c1c(nccc1C(F)(F)F)OC | 0.0003 |
8 ,
1
