 |
| Ligand Name: PCM-0102201 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1338 |
PubChem:
16226881
|
Synonym(s):
- 1-(chloroacetyl)-4-[(2,6-difluorophenyl)sulfonyl]piperazine
- 923799-92-2
- 2-chloro-1-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one
- zinc9428900
- akos001283363
- ccg-315487
- mcule-1689360562
- ne13838
- upcmld0enat5621394:001
- en300-22862
- j-503529
- 2-chloro-1-(4-(2,6-difluorophenylsulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-(4-((2,6-difluorophenyl)sulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-{4-[(2,6-difluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one
show 13 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C12H13ClF2N2O3S/c13-8-11(18)16-4-6-17(7-5-16)21(19,20)12-9(14)2-1-3-10(12)15/h1-3H,4-8H2 |
| Molecular Formula: C12H13ClF2N2O3S |
Mol. Weight: 338.03033 |
logP: 1.0365 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |