IUPAC name
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
SMILES
CCCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
flursulamid
IUPAC name
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
SMILES
CCCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
INCHI
InChI=1S/C12H10F17NO2S/c1-2-3-4-30-33(31,32)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h30H,2-4H2,1H3
FORMULA
C12H10F17NO2S
Common name
flursulamid
IUPAC name
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
Molecular weight
555.251
clogP
6.162
clogS
-6.351
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
46.17
Number of Rings
0
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
CN[S](O)O | 0.0038 |
| FDBF00577 | N-(dihydroxy-λ3-sulfanyl)ethanamine |
|
CCN[S](O)O | 0.0024 |
| FDBF05075 | 1,1,2,2-tetrafluoroethane |
|
C(F)(F)C(F)F | 0.0021 |
| FDBF05077 | (dihydroxy-λ3-sulfanyl)-difluoromethane |
|
[S](O)(O)C(F)F | 0.0007 |
| FDBF05079 | 1-(dihydroxy-λ3-sulfanyl)-1,1,2,2-tetrafluoroethane |
|
[S](O)(O)C(F)(F)C(F)F | 0.0007 |
| FDBF05080 | 1,1,2,2,3,3-hexafluoropropane |
|
C(F)(F)C(F)(F)C(F)F | 0.0007 |
| FDBF05082 | 1,1-difluoro-N-methylmethanesulfonamide |
|
CNS(=O)(=O)C(F)F | 0.0007 |
| FDBF05086 | 1,1,2,2-tetrafluoro-N-methylethanesulfonamide |
|
CNS(=O)(=O)C(F)(F)C(F)F | 0.0003 |
18 ,
2
