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

C32H29CoN8O10S2- — CID 156592327

IUPACbis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron
SMILESCC(=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].[H+]
InChIInChI=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-3/b2*16-15+,20-19+;
InChIKeyHJXTWGYNFHYOPA-ISDJYZQASA-K
MW808.70 g/mol
LogP1.55
Rot. Bonds12

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

bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron (PubChem CID 156592327) has the molecular formula C32H29CoN8O10S2- and a molecular weight of 808.70 g/mol. Its IUPAC name is bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron.

Molecular Properties

Compound Namebis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron
PubChem CID156592327
Molecular FormulaC32H29CoN8O10S2-
Molecular Weight808.70 g/mol
Exact Mass808.08
IUPAC Namebis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron
SMILESCC(=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].[H+]
InChIInChI=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-3/b2*16-15+,20-19+;
InChIKeyHJXTWGYNFHYOPA-ISDJYZQASA-K
XLogP1.55
TPSA320.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.70
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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'}

Analyze bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)
CID 138394503
sodium;bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-5-sulfamoylphenolate);cobalt(3+)
CID 165360930
sodium;2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-sulfamoylphenolate;2-[[(E)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-sulfamoylphenolate;chromium(3+)
CID 135850922
sodium;chromium(3+);bis(2-[[(Z)-1-(2-methylanilino)-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylbenzoate)
CID 165360752
2-[(1-anilino-3-hydroxy-1-oxobut-2-en-2-yl)diazenyl]-4-sulfamoylphenolate;chromium(3+);2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 170854123
2-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt;(Z)-2-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]-3-oxido-N-phenylbut-2-enimidate
CID 170845298
sodium;cobalt(3+);2-[[(Z)-1-(2-ethylhexylamino)-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-sulfamoylphenolate;2-[[(E)-1-(2-ethylhexylamino)-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-sulfamoylphenolate
CID 135850416
bis(2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-nitrophenolate);butan-1-amine;cobalt(3+);hydron
CID 135990919
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985631
4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135841430
cobalt(2+);bis(2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanimidate)
CID 155293719
disodium;5-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-2-[4-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methyl-2-sulfonatophenyl]-4-methylbenzenesulfonate
CID 136595430

Frequently Asked Questions

What is the IUPAC name of bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron?
The IUPAC name of bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron (CID 156592327) is bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron.
What is the SMILES notation for bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron?
The canonical SMILES for bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron 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].[H+].
What is the InChIKey of bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron?
The InChIKey is HJXTWGYNFHYOPA-ISDJYZQASA-K. 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-3/b2*16-15+,20-19+;.
What are the key properties of bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron?
bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron has a molecular weight of 808.70 g/mol, XLogP of 1.55, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron is sourced from PubChem (CID 156592327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).