 |
| Ligand Name:
5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide |
| HET ID: BU6 |
PubChem:
75815412
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Clc1ccc(c(c1)S(=O)(=O)Nc1cnn(c1)C1CCNCC1)F |
| Standard InChI: InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2 |
| Molecular Formula: C14H16ClFN4O2S |
Mol. Weight: 358.81885 |
Heavy Atoms: 23 |
| Charge: 0 |
Is Chiral: False |
logP: 3.8835 |
| HBD: 2 |
HBA: 6 |
TPSA: 84.4 |
| #Bonds: 25 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.35714287 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |