IUPAC name
N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILES
Cc1[nH]/c(=NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)/nc(n1)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
prosulfuron
IUPAC name
N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILES
Cc1[nH]/c(=NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)/nc(n1)OC
INCHI
InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)
FORMULA
C15H16F3N5O4S
Common name
prosulfuron
IUPAC name
N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
Molecular weight
419.379
clogP
3.040
clogS
-4.803
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
129.89
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| 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 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF03482 | 1,1,1-trifluoropropane |
|
C(C)C(F)(F)F | 0.0014 |
| FDBF06448 | 1-(dihydroxy-λ3-sulfanyl)-2-methylbenzene |
|
Cc1c(cccc1)[S](O)O | 0.0003 |
| FDBF06449 | 1-(dihydroxy-λ3-sulfanyl)-2-ethylbenzene |
|
C(c1c(cccc1)[S](O)O)C | 0.0003 |
10 ,
2
