bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)

C32H28CoN8O10S2-2 — CID 138394503

About bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)

bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+) (PubChem CID 138394503) has the molecular formula C32H28CoN8O10S2-2 and a molecular weight of 807.69 g/mol. Its IUPAC name is bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+).

Molecular Properties

• Compound Name: bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)
• PubChem CID: 138394503
• Molecular Formula: C32H28CoN8O10S2-2
• Molecular Weight: 807.69 g/mol
• Exact Mass: 807.07
• IUPAC Name: bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)
• SMILES: CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])=C(/[O-])Nc1ccccc1.CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])=C(/[O-])Nc1ccccc1.[Co+2]
• InChI: InChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,18,22-23H,1H3,(H2,17,24,25);/q;;+2/p-4/b2*16-15-,20-19+
• InChIKey: HJXTWGYNFHYOPA-WBDILNHJSA-J
• XLogP: 1.44
• TPSA: 320.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.69
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)?

The IUPAC name of bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+) (CID 138394503) is bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+).

What is the SMILES notation for bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)?

The canonical SMILES for bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+) is CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])=C(/[O-])Nc1ccccc1.CC(=O)C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])=C(/[O-])Nc1ccccc1.[Co+2].

What is the InChIKey of bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)?

The InChIKey is HJXTWGYNFHYOPA-WBDILNHJSA-J. The full InChI is InChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,18,22-23H,1H3,(H2,17,24,25);/q;;+2/p-4/b2*16-15-,20-19+;.

What are the key properties of bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)?

bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+) has a molecular weight of 807.69 g/mol, XLogP of 1.44, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+) is sourced from PubChem (CID 138394503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).