(8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt

C36H35ClCoN9O9S2+ — CID 170845171

About (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt

(8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt (PubChem CID 170845171) has the molecular formula C36H35ClCoN9O9S2+ and a molecular weight of 896.25 g/mol. Its IUPAC name is (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt.

Molecular Properties

• Compound Name: (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt
• PubChem CID: 170845171
• Molecular Formula: C36H35ClCoN9O9S2+
• Molecular Weight: 896.25 g/mol
• Exact Mass: 895.10
• IUPAC Name: (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt
• SMILES: CNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c1.C[NH2+]S(=O)(=O)c1ccc(O)c(/N=[NH+]/c2c(O)ccc3cccc(NC(C)=O)c23)c1.[Co]
• InChI: InChI=1S/C19H18N4O5S.C17H16ClN5O4S.Co/c1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2;/h3-10,20,25-26H,1-2H3,(H,21,24);3-9,19,22,24H,1-2H3;/p+1/b23-22+;21-20+
• InChIKey: GJMHQQYAFIWQDW-XFYVQFIQSA-O
• XLogP: 3.11
• TPSA: 278.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.25
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

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'}

Frequently Asked Questions

What is the IUPAC name of (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt?

The IUPAC name of (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt (CID 170845171) is (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt.

What is the SMILES notation for (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt?

The canonical SMILES for (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt is CNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c1.C[NH2+]S(=O)(=O)c1ccc(O)c(/N=[NH+]/c2c(O)ccc3cccc(NC(C)=O)c23)c1.[Co].

What is the InChIKey of (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt?

The InChIKey is GJMHQQYAFIWQDW-XFYVQFIQSA-O. The full InChI is InChI=1S/C19H18N4O5S.C17H16ClN5O4S.Co/c1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2;/h3-10,20,25-26H,1-2H3,(H,21,24);3-9,19,22,24H,1-2H3;/p+1/b23-22+;21-20+;.

What are the key properties of (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt?

(8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt has a molecular weight of 896.25 g/mol, XLogP of 3.11, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (8-acetamido-2-hydroxynaphthalen-1-yl)-[2-hydroxy-5-(methylazaniumyl)sulfonylphenyl]iminoazanium;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt is sourced from PubChem (CID 170845171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).