About sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt
sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt (PubChem CID 165360933) has the molecular formula C32H24Cl2CoN10NaO8S2-3
and a molecular weight of 893.57 g/mol. Its IUPAC name is sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt.
Molecular Properties
| Compound Name | sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt |
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| PubChem CID | 165360933 |
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| Molecular Formula | C32H24Cl2CoN10NaO8S2-3 |
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| Molecular Weight | 893.57 g/mol |
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| Exact Mass | 891.98 |
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| IUPAC Name | sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt |
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| SMILES | Cc1[n-]n(-c2ccccc2S(N)(=O)=O)c(=O)c1/N=N\c1cc(Cl)ccc1[O-].Cc1[n-]n(-c2ccccc2S(N)(=O)=O)c(=O)c1/N=N\c1cc(Cl)ccc1[O-].[Co].[Na+] |
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| InChI | InChI=1S/2C16H14ClN5O4S.Co.Na/c2*1-9-15(20-19-11-8-10(17)6-7-13(11)23)16(24)22(21-9)12-4-2-3-5-14(12)27(18,25)26;;/h2*2-8H,1H3,(H4,18,19,20,21,23,24,25,26);;/q;;;+1/p-4 |
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| InChIKey | AHBFNOSJFQZGKK-UHFFFAOYSA-J |
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| XLogP | 0.79 |
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| TPSA | 288.08 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 893.57 |
| LogP ≤ 5 | 0.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
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;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt?
The IUPAC name of sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt (CID 165360933) is sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt.
What is the SMILES notation for sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt?
The canonical SMILES for sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt is Cc1[n-]n(-c2ccccc2S(N)(=O)=O)c(=O)c1/N=N\c1cc(Cl)ccc1[O-].Cc1[n-]n(-c2ccccc2S(N)(=O)=O)c(=O)c1/N=N\c1cc(Cl)ccc1[O-].[Co].[Na+].
What is the InChIKey of sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt?
The InChIKey is AHBFNOSJFQZGKK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H14ClN5O4S.Co.Na/c2*1-9-15(20-19-11-8-10(17)6-7-13(11)23)16(24)22(21-9)12-4-2-3-5-14(12)27(18,25)26;;/h2*2-8H,1H3,(H4,18,19,20,21,23,24,25,26);;/q;;;+1/p-4.
What are the key properties of sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt?
sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt has a molecular weight of 893.57 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt is sourced from PubChem (CID 165360933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).