IUPAC name
5-chloro-2-[4-chloro-2-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]phenoxy]benzenesulfonic acid
SMILES
c1cc(c(cc1Cl)NC(=O)Nc1ccc(c(c1)Cl)Cl)Oc1ccc(cc1S(=O)(=O)O)Cl
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
sulcofuron
IUPAC name
5-chloro-2-[4-chloro-2-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]phenoxy]benzenesulfonic acid
SMILES
c1cc(c(cc1Cl)NC(=O)Nc1ccc(c(c1)Cl)Cl)Oc1ccc(cc1S(=O)(=O)O)Cl
INCHI
InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)
FORMULA
C19H12Cl4N2O5S
Common name
sulcofuron
IUPAC name
5-chloro-2-[4-chloro-2-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]phenoxy]benzenesulfonic acid
Molecular weight
522.186
clogP
4.358
clogS
-6.990
HBond Acceptor
6
HBond Donor
3
Total Polar Surface Area
108.22
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF05475 | (3-chlorophenyl)urea |
|
N(C(=O)N)c1cc(ccc1)Cl | 0.0003 |
| FDBF05476 | (3,4-dichlorophenyl)urea |
|
NC(=O)Nc1cc(c(cc1)Cl)Cl | 0.0003 |
| FDBF05477 | 3-chlorobenzenesulfonic acid |
|
S(=O)(=O)(O)c1cccc(c1)Cl | 0.0003 |
5 ,
1
