IUPAC name
4-[(4-chlorophenyl)[(1-methylpropylidene)hydrazono]methyl]phenyl methanesulfonate
SMILES
CCC(=NN=C(c1ccc(cc1)Cl)c1ccc(cc1)OS(=O)(=O)C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
jiahuangchongzong
IUPAC name
4-[(4-chlorophenyl)[(1-methylpropylidene)hydrazono]methyl]phenyl methanesulfonate
SMILES
CCC(=NN=C(c1ccc(cc1)Cl)c1ccc(cc1)OS(=O)(=O)C)C
INCHI
InChI=1S/C18H19ClN2O3S/c1-4-13(2)20-21-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)24-25(3,22)23/h5-12H,4H2,1-3H3
FORMULA
C18H19ClN2O3S
Common name
jiahuangchongzong
IUPAC name
4-[(4-chlorophenyl)[(1-methylpropylidene)hydrazono]methyl]phenyl methanesulfonate
Molecular weight
378.873
clogP
4.582
clogS
-5.677
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
68.09
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF01505 | methanesulfonic acid |
|
CS(=O)(=O)O | 0.0038 |
| FDBF05179 | phenyl methanesulfonate |
|
S(=O)(=O)(C)Oc1ccccc1 | 0.0003 |
| FDBF05180 | N-(methylideneamino)butan-2-imine |
|
CC/C(=N/N=C)/C | 0.0003 |
7 ,
1
