 |
| Ligand Name:
4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide |
| HET ID: 5GZ |
PubChem:
71695578
|
| DrugBank: - |
ChEMBL: CHEMBL3087804 |
| Canonical SMILES: CCN(CCNS(=O)(=O)c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-])CC |
| Standard InChI: InChI=1S/C18H22ClN3O5S/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24/h5-11,20H,3-4,12-13H2,1-2H3 |
| Molecular Formula: C18H22ClN3O5S |
Mol. Weight: 427.90237 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: False |
logP: 5.6555 |
| HBD: 1 |
HBA: 5 |
TPSA: 112.84 |
| #Bonds: 29 |
#Rotatable Bonds: 10 |
Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |