sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate

C58H40CoN8NaO10S2- — CID 170840487

IUPACsodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c1.O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([N-]c3ccccc3)ccc3ccccc23)c1.[Co+2].[Na+]
InChIInChI=1S/2C29H22N4O5S.Co.Na/c2*34-27-17-15-21(39(37,38)33-24-13-7-6-12-23(24)29(35)36)18-26(27)31-32-28-22-11-5-4-8-19(22)14-16-25(28)30-20-9-2-1-3-10-20;;/h1-18,33H,(H3,30,31,32,34,35,36);1-18,30,33-34H,(H,35,36);;/q;;+2;+1/p-4/b;32-31+;;
InChIKeyAGOSGLVMHGRVHT-GWKYCTNPSA-J
MW1155.06 g/mol
LogP9.40
Rot. Bonds16

About sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate

sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate (PubChem CID 170840487) has the molecular formula C58H40CoN8NaO10S2- and a molecular weight of 1155.06 g/mol. Its IUPAC name is sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namesodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate
PubChem CID170840487
Molecular FormulaC58H40CoN8NaO10S2-
Molecular Weight1155.06 g/mol
Exact Mass1154.15
IUPAC Namesodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c1.O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([N-]c3ccccc3)ccc3ccccc23)c1.[Co+2].[Na+]
InChIInChI=1S/2C29H22N4O5S.Co.Na/c2*34-27-17-15-21(39(37,38)33-24-13-7-6-12-23(24)29(35)36)18-26(27)31-32-28-22-11-5-4-8-19(22)14-16-25(28)30-20-9-2-1-3-10-20;;/h1-18,33H,(H3,30,31,32,34,35,36);1-18,30,33-34H,(H,35,36);;/q;;+2;+1/p-4/b;32-31+;;
InChIKeyAGOSGLVMHGRVHT-GWKYCTNPSA-J
XLogP9.40
TPSA291.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.06
LogP ≤ 59.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate?
The IUPAC name of sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate (CID 170840487) is sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate.
What is the SMILES notation for sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate?
The canonical SMILES for sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate is O=C(O)c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)c1.O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([N-]c3ccccc3)ccc3ccccc23)c1.[Co+2].[Na+].
What is the InChIKey of sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate?
The InChIKey is AGOSGLVMHGRVHT-GWKYCTNPSA-J. The full InChI is InChI=1S/2C29H22N4O5S.Co.Na/c2*34-27-17-15-21(39(37,38)33-24-13-7-6-12-23(24)29(35)36)18-26(27)31-32-28-22-11-5-4-8-19(22)14-16-25(28)30-20-9-2-1-3-10-20;;/h1-18,33H,(H3,30,31,32,34,35,36);1-18,30,33-34H,(H,35,36);;/q;;+2;+1/p-4/b;32-31+;;.
What are the key properties of sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate?
sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate has a molecular weight of 1155.06 g/mol, XLogP of 9.40, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[(2-anilinonaphthalen-1-yl)diazenyl]-4-[(2-carboxyphenyl)sulfamoyl]phenolate;cobalt(2+);2-[[4-oxido-3-[(2-phenylazanidylnaphthalen-1-yl)diazenyl]phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 170840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).