Common name
1,1-difluoro-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-methylmethanesulfonamide
SMILES
CNS(=O)(=O)C(F)F
Common name
1,1-difluoro-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-methylmethanesulfonamide
SMILES
CNS(=O)(=O)C(F)F
INCHI
InChI=1S/C2H5F2NO2S/c1-5-8(6,7)2(3)4/h2,5H,1H3
FORMULA
C2H5F2NO2S
Common name
1,1-difluoro-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-methylmethanesulfonamide
Molecular weight
145.128
clogP
0.197
clogS
-0.829
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bcd_ligand.mol2 | 1bcd | 0.736842 | -6.10 | C(F)(F)(F)S(=O)(=O)N | 9 |
| 4iwd_ligand_2_9.mol2 | 4iwd | 0.631579 | -5.61 | CNS(=O)(=O)C | 6 |
| 3d5m_ligand_1_4.mol2 | 3d5m | 0.631579 | -5.55 | N(S(=O)(=O)C)C | 6 |
| 3h5u_ligand_1_4.mol2 | 3h5u | 0.631579 | -5.52 | N(S(=O)(=O)C)C | 6 |
| 4b81_ligand_2_0.mol2 | 4b81 | 0.631579 | -5.51 | CS(=O)(=O)NC | 6 |
| 4q1f_ligand_1_0.mol2 | 4q1f | 0.631579 | -5.51 | CS(=O)(=O)NC | 6 |
| 3fqk_ligand_1_3.mol2 | 3fqk | 0.631579 | -5.49 | N(S(=O)(=O)C)C | 6 |
| 4b7z_ligand_2_0.mol2 | 4b7z | 0.631579 | -5.49 | CNS(=O)(=O)C | 6 |
| 3bz3_ligand_frag_4.mol2 | 3bz3 | 0.631579 | -5.48 | O=S(=O)(NC)C | 6 |
| 4dpf_ligand_frag_0.mol2 | 4dpf | 0.631579 | -5.48 | O=S(=O)(NC)C | 6 |
100 ,
11
