sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)

C34H32Cl2CoN10NaO8S2+4 — CID 156599318

About sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)

sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+) (PubChem CID 156599318) has the molecular formula C34H32Cl2CoN10NaO8S2+4 and a molecular weight of 925.65 g/mol. Its IUPAC name is sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+).

Molecular Properties

• Compound Name: sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)
• PubChem CID: 156599318
• Molecular Formula: C34H32Cl2CoN10NaO8S2+4
• Molecular Weight: 925.65 g/mol
• Exact Mass: 924.04
• IUPAC Name: sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)
• SMILES: CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)nn(-c3cccc(Cl)c3)c2O)c1.CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)nn(-c3cccc(Cl)c3)c2O)c1.[Co+3].[Na+]
• InChI: InChI=1S/2C17H16ClN5O4S.Co.Na/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*3-9,19,24-25H,1-2H3;;/q;;+3;+1/b2*21-20+
• InChIKey: VJBJJFZUUWVEII-XJQIYIKESA-N
• XLogP: 4.14
• TPSA: 258.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.65
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)?

The IUPAC name of sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+) (CID 156599318) is sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+).

What is the SMILES notation for sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)?

The canonical SMILES for sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+) is CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)nn(-c3cccc(Cl)c3)c2O)c1.CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(C)nn(-c3cccc(Cl)c3)c2O)c1.[Co+3].[Na+].

What is the InChIKey of sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)?

The InChIKey is VJBJJFZUUWVEII-XJQIYIKESA-N. The full InChI is InChI=1S/2C17H16ClN5O4S.Co.Na/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*3-9,19,24-25H,1-2H3;;/q;;+3;+1/b2*21-20+;;.

What are the key properties of sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)?

sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+) has a molecular weight of 925.65 g/mol, XLogP of 4.14, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+) is sourced from PubChem (CID 156599318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).