Common name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
IUPAC name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
SMILES
Fc1ccccc1NS(=O)(=O)c2c(cccc2F)F
Common name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
IUPAC name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
SMILES
Fc1ccccc1NS(=O)(=O)c2c(cccc2F)F
INCHI
InChI=1S/C12H8F3NO2S/c13-8-4-1-2-7-11(8)16-19(17,18)12-9(14)5-3-6-10(12)15/h1-7,16H
FORMULA
C12H8F3NO2S
Common name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
IUPAC name
2,6-difluoro-N-(2-fluorophenyl)benzenesulfonamide
Molecular weight
287.258
clogP
2.762
clogS
-4.664
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01573 | Dabrafenib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Dabrafenib is indicated for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E mutation as detected by an FDA-approved test. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xv2_ligand_2_9.mol2 | 4xv2 | 1 | -8.36 | N(S(=O)(=O)c1c(cccc1F)F)c1c(cccc1)F | 19 |
| 5ar8_ligand_2_27.mol2 | 5ar8 | 0.924242 | -8.22 | c1cccc(c1)NS(=O)(=O)c1c(F)cccc1F | 18 |
| 4cqe_ligand_2_0.mol2 | 4cqe | 0.901408 | -8.50 | S(=O)(=O)(Nc1c(F)cccc1)c1c(F)ccc(F)c1 | 19 |
| 4xv9_ligand_2_3.mol2 | 4xv9 | 0.897059 | -8.08 | c1(c(F)cc(cc1)F)NS(=O)(=O)c1ccccc1 | 18 |
| 4tpt_ligand_2_20.mol2 | 4tpt | 0.712121 | -8.26 | c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | 16 |
| 7upj_ligand_2_9.mol2 | 7upj | 0.712121 | -7.01 | N(S(=O)(=O)c1ccccc1)c1ccccc1 | 16 |
316 ,
32
