2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide

C122H97Cl2N17O24S4 — CID 159309835

IUPAC2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
SMILESNc1ccc(OCc2ccccc2)c2cccnc12.Nc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1.O=[N+]([O-])c1ccc(Cl)c2cccnc12.O=[N+]([O-])c1ccc(O)c2cccnc12.O=[N+]([O-])c1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(O)(O)Cl
InChIInChI=1S/C22H17N3O5S.C22H19N3O3S.C22H18N2O3S.C16H12N2O3.C16H14N2O.C9H5ClN2O2.C9H6N2O3.C6H6ClNO4S/c26-25(27)19-10-4-5-11-21(19)31(28,29)24-18-12-13-20(17-9-6-14-23-22(17)18)30-15-16-7-2-1-3-8-16;23-18-10-4-5-11-21(18)29(26,27)25-19-12-13-20(17-9-6-14-24-22(17)19)28-15-16-7-2-1-3-8-16;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;19-18(20)14-8-9-15(13-7-4-10-17-16(13)14)21-11-12-5-2-1-3-6-12;17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12;10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9;12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-14,24H,15H2;1-14,25H,15,23H2;1-15,24H,16H2;1-10H,11H2;1-10H,11,17H2;1-5H;1-5,12H;1-4,11-12H
InChIKeyLCJWRNBBXCGNRY-UHFFFAOYSA-N
MW2384.39 g/mol
LogP27.96
Rot. Bonds30

About 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide

2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide (PubChem CID 159309835) has the molecular formula C122H97Cl2N17O24S4 and a molecular weight of 2384.39 g/mol. Its IUPAC name is 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
PubChem CID159309835
Molecular FormulaC122H97Cl2N17O24S4
Molecular Weight2384.39 g/mol
Exact Mass2381.52
IUPAC Name2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide
SMILESNc1ccc(OCc2ccccc2)c2cccnc12.Nc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1.O=[N+]([O-])c1ccc(Cl)c2cccnc12.O=[N+]([O-])c1ccc(O)c2cccnc12.O=[N+]([O-])c1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(O)(O)Cl
InChIInChI=1S/C22H17N3O5S.C22H19N3O3S.C22H18N2O3S.C16H12N2O3.C16H14N2O.C9H5ClN2O2.C9H6N2O3.C6H6ClNO4S/c26-25(27)19-10-4-5-11-21(19)31(28,29)24-18-12-13-20(17-9-6-14-23-22(17)18)30-15-16-7-2-1-3-8-16;23-18-10-4-5-11-21(18)29(26,27)25-19-12-13-20(17-9-6-14-24-22(17)19)28-15-16-7-2-1-3-8-16;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;19-18(20)14-8-9-15(13-7-4-10-17-16(13)14)21-11-12-5-2-1-3-6-12;17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12;10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9;12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-14,24H,15H2;1-14,25H,15,23H2;1-15,24H,16H2;1-10H,11H2;1-10H,11,17H2;1-5H;1-5,12H;1-4,11-12H
InChIKeyLCJWRNBBXCGNRY-UHFFFAOYSA-N
XLogP27.96
TPSA603.32 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.39
LogP ≤ 527.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide (CID 159309835) is 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide is Nc1ccc(OCc2ccccc2)c2cccnc12.Nc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1.O=[N+]([O-])c1ccc(Cl)c2cccnc12.O=[N+]([O-])c1ccc(O)c2cccnc12.O=[N+]([O-])c1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c2cccnc12.O=[N+]([O-])c1ccccc1S(O)(O)Cl.
What is the InChIKey of 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
The InChIKey is LCJWRNBBXCGNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5S.C22H19N3O3S.C22H18N2O3S.C16H12N2O3.C16H14N2O.C9H5ClN2O2.C9H6N2O3.C6H6ClNO4S/c26-25(27)19-10-4-5-11-21(19)31(28,29)24-18-12-13-20(17-9-6-14-23-22(17)18)30-15-16-7-2-1-3-8-16;23-18-10-4-5-11-21(18)29(26,27)25-19-12-13-20(17-9-6-14-24-22(17)19)28-15-16-7-2-1-3-8-16;25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17;19-18(20)14-8-9-15(13-7-4-10-17-16(13)14)21-11-12-5-2-1-3-6-12;17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12;10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9;12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9;7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-14,24H,15H2;1-14,25H,15,23H2;1-15,24H,16H2;1-10H,11H2;1-10H,11,17H2;1-5H;1-5,12H;1-4,11-12H.
What are the key properties of 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide?
2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide has a molecular weight of 2384.39 g/mol, XLogP of 27.96, 30 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;chloro-dihydroxy-(2-nitrophenyl)-λ4-sulfane;5-chloro-8-nitroquinoline;8-nitro-5-phenylmethoxyquinoline;2-nitro-N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide;8-nitroquinolin-5-ol;5-phenylmethoxyquinolin-8-amine;N-(5-phenylmethoxyquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 159309835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).