Common name
N-ethyl-1,1-difluoromethanesulfonamide
IUPAC name
N-ethyl-1,1-difluoromethanesulfonamide
SMILES
CCNS(=O)(=O)C(F)F
Common name
N-ethyl-1,1-difluoromethanesulfonamide
IUPAC name
N-ethyl-1,1-difluoromethanesulfonamide
SMILES
CCNS(=O)(=O)C(F)F
INCHI
InChI=1S/C3H7F2NO2S/c1-2-6-9(7,8)3(4)5/h3,6H,2H2,1H3
FORMULA
C3H7F2NO2S
Common name
N-ethyl-1,1-difluoromethanesulfonamide
IUPAC name
N-ethyl-1,1-difluoromethanesulfonamide
Molecular weight
159.155
clogP
0.102
clogS
-1.244
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD01929 | sulfluramid |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b81_ligand_3_4.mol2 | 4b81 | 0.666667 | -5.79 | CS(=O)(=O)NCC | 7 |
| 4q1f_ligand_2_0.mol2 | 4q1f | 0.666667 | -5.78 | CS(=O)(=O)NCC | 7 |
| 4b7z_ligand_3_4.mol2 | 4b7z | 0.666667 | -5.77 | CCNS(=O)(=O)C | 7 |
| 4jt9_ligand_2_0.mol2 | 4jt9 | 0.666667 | -5.76 | CCNS(=O)(=O)C | 7 |
| 4b80_ligand_3_4.mol2 | 4b80 | 0.666667 | -5.74 | CS(=O)(=O)NCC | 7 |
| 4kb7_ligand_2_8.mol2 | 4kb7 | 0.666667 | -5.63 | C(C)NS(=O)(=O)C | 7 |
| 4q1b_ligand_2_0.mol2 | 4q1b | 0.666667 | -5.59 | CS(=O)(=O)NCC | 7 |
| 4kcg_ligand_2_0.mol2 | 4kcg | 0.666667 | -5.57 | C(NS(=O)(=O)C)C | 7 |
| 2j4i_ligand_2_0.mol2 | 2j4i | 0.666667 | -5.44 | C(NS(=O)(=O)C)C | 7 |
102 ,
11
