C86H64Cl4F15N14O19PdS5- — CID 157372281
2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;carbanide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride;palladium (PubChem CID 157372281) has the molecular formula C86H64Cl4F15N14O19PdS5- and a molecular weight of 2291.07 g/mol. Its IUPAC name is 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;carbanide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride;palladium.
| Compound Name | 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;carbanide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride;palladium |
|---|---|
| PubChem CID | 157372281 |
| Molecular Formula | C86H64Cl4F15N14O19PdS5- |
| Molecular Weight | 2291.07 g/mol |
| Exact Mass | 2287.06 |
| IUPAC Name | 2-amino-N-(7-chloro-4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;2-amino-N-(4-methoxyquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide;carbanide;7-chloro-4-methoxyquinolin-8-amine;N-(7-chloro-4-methoxyquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride;palladium |
| SMILES | COc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)c(Cl)ccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3N)cccc12.COc1ccnc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)ccc12.COc1ccnc2c3c(ccc12)-c1cc(C(F)(F)F)ccc1S(=O)(=O)N3.O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Cl.[CH3-].[Pd] |
| InChI | InChI=1S/C17H11ClF3N3O5S.C17H13ClF3N3O3S.C17H14F3N3O3S.C17H11F3N2O3S.C10H9ClN2O.C7H3ClF3NO4S.CH3.Pd/c1-29-13-6-7-22-15-10(13)3-4-11(18)16(15)23-30(27,28)14-5-2-9(17(19,20)21)8-12(14)24(25)26;1-27-13-6-7-23-15-10(13)3-4-11(18)16(15)24-28(25,26)14-5-2-9(8-12(14)22)17(19,20)21;1-26-14-7-8-22-16-11(14)3-2-4-13(16)23-27(24,25)15-6-5-10(9-12(15)21)17(18,19)20;1-25-13-6-7-21-15-11(13)4-3-10-12-8-9(17(18,19)20)2-5-14(12)26(23,24)22-16(10)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14;;/h2-8,23H,1H3;2-8,24H,22H2,1H3;2-9,23H,21H2,1H3;2-8,22H,1H3;2-5H,12H2,1H3;1-3H;1H3;/q;;;;;;-1; |
| InChIKey | ZABWXYIXDWBMMC-UHFFFAOYSA-N |
| XLogP | 22.08 |
| TPSA | 493.76 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2291.07 |
| LogP ≤ 5 | 22.08 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|