[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper

C105H97ClCu3F2N27O33S9-3 — CID 157434459

About [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper

[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper (PubChem CID 157434459) has the molecular formula C105H97ClCu3F2N27O33S9-3 and a molecular weight of 2817.78 g/mol. Its IUPAC name is [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper.

Molecular Properties

• Compound Name: [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper
• PubChem CID: 157434459
• Molecular Formula: C105H97ClCu3F2N27O33S9-3
• Molecular Weight: 2817.78 g/mol
• Exact Mass: 2813.18
• IUPAC Name: [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper
• SMILES: C=CS(=O)(=O)c1cccc(N(CC)c2nc(F)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)c1.CCCS(=O)(=O)c1ccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)cc1.CCCS(=O)(=O)c1cccc(N(CC)c2nc(Cl)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)c1.[Cu].[Cu].[Cu]
• InChI: InChI=1S/C36H36ClN9O11S3.C35H32FN9O11S3.C34H32FN9O11S3.3Cu/c1-4-16-58(50,51)25-13-9-12-24(18-25)46(5-2)36-40-34(37)39-35(41-36)38-29-19-26(60(55,56)57-3)20-30(31(29)47)43-45-32(23-10-7-6-8-11-23)44-42-28-17-22(21-59(52,53)54)14-15-27(28)33(48)49;1-4-45(23-12-9-13-24(17-23)57(49,50)5-2)35-39-33(36)38-34(40-35)37-28-18-25(59(54,55)56-3)19-29(30(28)46)42-44-31(22-10-7-6-8-11-22)43-41-27-16-21(20-58(51,52)53)14-15-26(27)32(47)48;1-3-15-56(48,49)23-12-10-22(11-13-23)36-33-38-32(35)39-34(40-33)37-27-17-24(58(53,54)55-2)18-28(29(27)45)42-44-30(21-7-5-4-6-8-21)43-41-26-16-20(19-57(50,51)52)9-14-25(26)31(46)47;;;/h6-15,17-20H,4-5,16,21H2,1-3H3,(H5,38,39,40,41,42,43,44,45,47,48,49,52,53,54);5-19H,2,4,20H2,1,3H3,(H5,37,38,39,40,41,42,43,44,46,47,48,51,52,53);4-14,16-18H,3,15,19H2,1-2H3,(H6,36,37,38,39,40,41,42,43,44,45,46,47,50,51,52);;;/p-3
• InChIKey: RKAUATSAUJHSRT-UHFFFAOYSA-K
• XLogP: 18.95
• TPSA: 892.38 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2817.78
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper?

The IUPAC name of [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper (CID 157434459) is [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper.

What is the SMILES notation for [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper?

The canonical SMILES for [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper is C=CS(=O)(=O)c1cccc(N(CC)c2nc(F)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)c1.CCCS(=O)(=O)c1ccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)cc1.CCCS(=O)(=O)c1cccc(N(CC)c2nc(Cl)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)c1.[Cu].[Cu].[Cu].

What is the InChIKey of [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper?

The InChIKey is RKAUATSAUJHSRT-UHFFFAOYSA-K. The full InChI is InChI=1S/C36H36ClN9O11S3.C35H32FN9O11S3.C34H32FN9O11S3.3Cu/c1-4-16-58(50,51)25-13-9-12-24(18-25)46(5-2)36-40-34(37)39-35(41-36)38-29-19-26(60(55,56)57-3)20-30(31(29)47)43-45-32(23-10-7-6-8-11-23)44-42-28-17-22(21-59(52,53)54)14-15-27(28)33(48)49;1-4-45(23-12-9-13-24(17-23)57(49,50)5-2)35-39-33(36)38-34(40-35)37-28-18-25(59(54,55)56-3)19-29(30(28)46)42-44-31(22-10-7-6-8-11-22)43-41-27-16-21(20-58(51,52)53)14-15-26(27)32(47)48;1-3-15-56(48,49)23-12-10-22(11-13-23)36-33-38-32(35)39-34(40-33)37-27-17-24(58(53,54)55-2)18-28(29(27)45)42-44-30(21-7-5-4-6-8-21)43-41-26-16-20(19-57(50,51)52)9-14-25(26)31(46)47;;;/h6-15,17-20H,4-5,16,21H2,1-3H3,(H5,38,39,40,41,42,43,44,45,47,48,49,52,53,54);5-19H,2,4,20H2,1,3H3,(H5,37,38,39,40,41,42,43,44,46,47,48,51,52,53);4-14,16-18H,3,15,19H2,1-2H3,(H6,36,37,38,39,40,41,42,43,44,45,46,47,50,51,52);;;/p-3.

What are the key properties of [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper?

[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper has a molecular weight of 2817.78 g/mol, XLogP of 18.95, 49 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-(N-ethyl-3-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-(3-ethenylsulfonyl-N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-fluoro-6-(4-propylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper is sourced from PubChem (CID 157434459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).