IUPAC name
1-chloro-N-[2-chloro-4-fluoro-5-[(6S,7aR)-6-fluorotetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]phenyl]methanesulfonamide
SMILES
C1[C@@H](CN2[C@H]1C(=O)N(c1cc(c(cc1F)Cl)NS(=O)(=O)CCl)C2=O)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
profluazol
IUPAC name
1-chloro-N-[2-chloro-4-fluoro-5-[(6S,7aR)-6-fluorotetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]phenyl]methanesulfonamide
SMILES
C1[C@@H](CN2[C@H]1C(=O)N(c1cc(c(cc1F)Cl)NS(=O)(=O)CCl)C2=O)F
INCHI
InChI=1S/C13H11Cl2F2N3O4S/c14-5-25(23,24)18-9-3-10(8(17)2-7(9)15)20-12(21)11-1-6(16)4-19(11)13(20)22/h2-3,6,11,18H,1,4-5H2/t6-,11+/m0/s1
FORMULA
C13H11Cl2F2N3O4S
Common name
profluazol
IUPAC name
1-chloro-N-[2-chloro-4-fluoro-5-[(6S,7aR)-6-fluorotetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]phenyl]methanesulfonamide
Molecular weight
414.212
clogP
1.002
clogS
-3.826
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
86.79
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00685 | 1-chloro-3-fluoro-benzene |
|
Clc1cc(ccc1)F | 0.0055 |
| FDBF06423 | (6S,7aR)-2-(4-chloro-2-fluorophenyl)-6-fluoro-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione |
|
c1(c(cc(cc1)Cl)F)N1C(=O)N2[C@H](C[C@@H](C2)F)C1=O | 0.0003 |
| FDBF06424 | 2-chloro-N-(dihydroxy-λ3-sulfanyl)-4-fluoroaniline |
|
N([S](O)O)c1c(cc(cc1)F)Cl | 0.0003 |
| FDBF06425 | 1-chloro-N-(2-chloro-4-fluorophenyl)methanesulfonamide |
|
C(Cl)S(=O)(=O)Nc1c(cc(cc1)F)Cl | 0.0003 |
| FDBF06426 | (6S,7aR)-6-fluoro-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione |
|
C1[C@H]2N(C[C@H]1F)C(=O)NC2=O | 0.0003 |
5 ,
1
