sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt

C32H24Cl2CoN10NaO8S2-3 — CID 165360933

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
• PubChem CID: 165360933
• Molecular Formula: C32H24Cl2CoN10NaO8S2-3
• Molecular Weight: 893.57 g/mol
• Exact Mass: 891.98
• IUPAC Name: sodium;bis(4-chloro-2-[[3-methyl-5-oxo-1-(2-sulfamoylphenyl)pyrazol-2-id-4-yl]diazenyl]phenolate);cobalt
• 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+]
• 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
• InChIKey: AHBFNOSJFQZGKK-UHFFFAOYSA-J
• XLogP: 0.79
• TPSA: 288.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

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).