[[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper

C34H31ClCuN9O15S4- — CID 162250707

About [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper (PubChem CID 162250707) has the molecular formula C34H31ClCuN9O15S4- and a molecular weight of 1032.94 g/mol. Its IUPAC name is [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper
• PubChem CID: 162250707
• Molecular Formula: C34H31ClCuN9O15S4-
• Molecular Weight: 1032.94 g/mol
• Exact Mass: 1030.98
• IUPAC Name: [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper
• SMILES: COS(=O)(=O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)cc1.[Cu]
• InChI: InChI=1S/C34H32ClN9O15S4.Cu/c1-57-62(53,54)24-17-27(37-34-39-32(35)38-33(40-34)36-22-9-11-23(12-10-22)60(48,49)15-14-59-63(55,56)58-2)29(45)28(18-24)42-44-30(21-6-4-3-5-7-21)43-41-26-16-20(19-61(50,51)52)8-13-25(26)31(46)47;/h3-13,16-18H,14-15,19H2,1-2H3,(H6,36,37,38,39,40,41,42,43,44,45,46,47,50,51,52);/p-1
• InChIKey: DWTAYPIBJJMNKF-UHFFFAOYSA-M
• XLogP: 4.97
• TPSA: 355.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1032.94
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper (CID 162250707) is [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper is COS(=O)(=O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)OC)cc([N-]N=C(/N=N/c4cc(CS(=O)(=O)O)ccc4C(=O)O)c4ccccc4)c3O)n2)cc1.[Cu].

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

The InChIKey is DWTAYPIBJJMNKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H32ClN9O15S4.Cu/c1-57-62(53,54)24-17-27(37-34-39-32(35)38-33(40-34)36-22-9-11-23(12-10-22)60(48,49)15-14-59-63(55,56)58-2)29(45)28(18-24)42-44-30(21-6-4-3-5-7-21)43-41-26-16-20(19-61(50,51)52)8-13-25(26)31(46)47;/h3-13,16-18H,14-15,19H2,1-2H3,(H6,36,37,38,39,40,41,42,43,44,45,46,47,50,51,52);/p-1.

What are the key properties of [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-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-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper has a molecular weight of 1032.94 g/mol, XLogP of 4.97, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [[[[2-carboxy-5-(sulfomethyl)phenyl]diazenyl]-phenylmethylidene]amino]-[3-[[4-chloro-6-[4-(2-methoxysulfonyloxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-methoxysulfonylphenyl]azanide;copper is sourced from PubChem (CID 162250707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).