Common name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
SMILES
C(F)(F)S(=O)(=O)N(c1c(cccc1)F)C
Common name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
SMILES
C(F)(F)S(=O)(=O)N(c1c(cccc1)F)C
INCHI
InChI=1S/C8H8F3NO2S/c1-12(15(13,14)8(10)11)7-5-3-2-4-6(7)9/h2-5,8H,1H3
FORMULA
C8H8F3NO2S
Common name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
IUPAC name
1,1-difluoro-N-(2-fluorophenyl)-N-methylmethanesulfonamide
Molecular weight
239.215
clogP
1.134
clogS
-2.334
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
37.38
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pp7_ligand_3_3.mol2 | 4pp7 | 0.730159 | -7.01 | CS(=O)(=O)Nc1c(c(c(cc1)F)NC)F | 15 |
| 4ehg_ligand_2_22.mol2 | 4ehg | 0.689655 | -6.96 | c1c(c(ccc1F)NS(=O)(=O)C)F | 13 |
| 4pp7_ligand_2_7.mol2 | 4pp7 | 0.689655 | -6.93 | CS(=O)(=O)Nc1c(cc(cc1)F)F | 13 |
| 4e4x_ligand_2_14.mol2 | 4e4x | 0.689655 | -6.87 | CS(=O)(=O)Nc1c(cc(cc1)F)F | 13 |
| 3c4c_ligand_2_1.mol2 | 3c4c | 0.689655 | -6.86 | CS(=O)(=O)Nc1c(F)cc(cc1)F | 13 |
| 4ehe_ligand_2_3.mol2 | 4ehe | 0.689655 | -6.81 | c1c(c(ccc1F)NS(=O)(=O)C)F | 13 |
| 4mbj_ligand_2_7.mol2 | 4mbj | 0.689655 | -6.51 | N(S(=O)(=O)C)c1c(cc(cc1)F)F | 13 |
107 ,
11
