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

C86H64Cl4F15N14O19PdS5- — CID 157372281

IUPAC2-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
SMILESCOc1ccnc2c(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]
InChIInChI=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;
InChIKeyZABWXYIXDWBMMC-UHFFFAOYSA-N
MW2291.07 g/mol
LogP22.08
Rot. Bonds17

About 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

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.

Molecular Properties

Compound Name2-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 CID157372281
Molecular FormulaC86H64Cl4F15N14O19PdS5-
Molecular Weight2291.07 g/mol
Exact Mass2287.06
IUPAC Name2-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
SMILESCOc1ccnc2c(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]
InChIInChI=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;
InChIKeyZABWXYIXDWBMMC-UHFFFAOYSA-N
XLogP22.08
TPSA493.76 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.07
LogP ≤ 522.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 157372281) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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].
What is the InChIKey of 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?
The InChIKey is ZABWXYIXDWBMMC-UHFFFAOYSA-N. The full InChI is 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;.
What are the key properties of 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?
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 has a molecular weight of 2291.07 g/mol, XLogP of 22.08, 17 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157372281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).