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Ligand Download |
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| 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 | ||