2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)

C34H31Cl2CoN10O8S2+2 — CID 170841730

About 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)

2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+) (PubChem CID 170841730) has the molecular formula C34H31Cl2CoN10O8S2+2 and a molecular weight of 901.66 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+).

Molecular Properties

• Compound Name: 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)
• PubChem CID: 170841730
• Molecular Formula: C34H31Cl2CoN10O8S2+2
• Molecular Weight: 901.66 g/mol
• Exact Mass: 900.05
• IUPAC Name: 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)
• SMILES: CNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c1.C[NH2+]S(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c1.[Co+3]
• InChI: InChI=1S/2C17H16ClN5O4S.Co/c2*1-10-16(17(25)23(22-10)12-5-3-4-11(18)8-12)21-20-14-9-13(6-7-15(14)24)28(26,27)19-2;/h2*3-9,19,22,24H,1-2H3;/q;;+3/p-1/b2*21-20+
• InChIKey: RXYBCNFILZQUAA-SQMNQOOUSA-M
• XLogP: 4.02
• TPSA: 268.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.66
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	4
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 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)?

The IUPAC name of 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+) (CID 170841730) is 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+).

What is the SMILES notation for 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)?

The canonical SMILES for 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+) is CNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c1.C[NH2+]S(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c1.[Co+3].

What is the InChIKey of 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)?

The InChIKey is RXYBCNFILZQUAA-SQMNQOOUSA-M. The full InChI is InChI=1S/2C17H16ClN5O4S.Co/c2*1-10-16(17(25)23(22-10)12-5-3-4-11(18)8-12)21-20-14-9-13(6-7-15(14)24)28(26,27)19-2;/h2*3-9,19,22,24H,1-2H3;/q;;+3/p-1/b2*21-20+;.

What are the key properties of 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)?

2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+) has a molecular weight of 901.66 g/mol, XLogP of 4.02, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylazaniumyl)sulfonylphenolate;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+) is sourced from PubChem (CID 170841730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).