IUPAC name
1,1,1-trifluoro-N-[2-methyl-4-(phenylsulfonyl)phenyl]methanesulfonamide
SMILES
Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
perfluidone
IUPAC name
1,1,1-trifluoro-N-[2-methyl-4-(phenylsulfonyl)phenyl]methanesulfonamide
SMILES
Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccccc1
INCHI
InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3
FORMULA
C14H12F3NO4S2
Common name
perfluidone
IUPAC name
1,1,1-trifluoro-N-[2-methyl-4-(phenylsulfonyl)phenyl]methanesulfonamide
Molecular weight
379.375
clogP
1.925
clogS
-4.818
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
80.31
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| 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 |
| FDBF06386 | 1-(dihydroxy-λ3-sulfanyl)-3-methylbenzene |
|
[S](O)(O)c1cccc(C)c1 | 0.0003 |
| FDBF06387 | N-(dihydroxy-λ3-sulfanyl)-2-methylaniline |
|
N([S](O)O)c1c(C)cccc1 | 0.0007 |
| FDBF06388 | 1-(benzenesulfonyl)-3-methylbenzene |
|
S(=O)(=O)(c1cccc(C)c1)c1ccccc1 | 0.0003 |
| FDBF06389 | 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide |
|
C(F)(F)(F)S(=O)(=O)Nc1c(C)cccc1 | 0.0003 |
9 ,
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