IUPAC name
methyl N-[[4-[[(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonyl]carbamate
SMILES
Cc1cc(ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)OC)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
fenasulam
IUPAC name
methyl N-[[4-[[(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonyl]carbamate
SMILES
Cc1cc(ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)OC)Cl
INCHI
InChI=1S/C17H17ClN2O6S/c1-11-9-12(18)3-8-15(11)26-10-16(21)19-13-4-6-14(7-5-13)27(23,24)20-17(22)25-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
FORMULA
C17H17ClN2O6S
Common name
fenasulam
IUPAC name
methyl N-[[4-[[(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonyl]carbamate
Molecular weight
412.845
clogP
2.212
clogS
-4.486
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
114.29
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF01320 | N-phenylacetamide |
|
c1(ccccc1)NC(=O)C | 0.0027 |
| FDBF02854 | 1-chloro-3-methyl-benzene |
|
Clc1cc(ccc1)C | 0.0031 |
| FDBF06107 | 2-(4-chloro-2-methylphenoxy)acetamide |
|
Cc1c(ccc(c1)Cl)OCC(=O)N | 0.0003 |
| FDBF06108 | 2-hydroxy-N-phenylacetamide |
|
c1(ccccc1)NC(=O)CO | 0.0003 |
| FDBF06292 | 4-chloro-2-methylphenol |
|
c1(c(cc(cc1)Cl)C)O | 0.0024 |
| FDBF06294 | 4-chloro-1-methoxy-2-methylbenzene |
|
c1(c(cc(cc1)Cl)C)OC | 0.0010 |
10 ,
2
