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+)

C32H28CrN8NaO10S2 — CID 135850922

IUPACsodium;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+)
SMILESC/C([O-])=C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.C/C([O-])=C(\N=N\c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.[Cr+3].[Na+]
InChIInChI=1S/2C16H16N4O5S.Cr.Na/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*2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);;/q;;+3;+1/p-4/b15-10+,20-19+;15-10-,20-19+;;
InChIKeyBSODSOZSWPUPNL-PTSDWGNHSA-J
MW823.74 g/mol
LogP-1.55
Rot. Bonds10

About 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+)

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+) (PubChem CID 135850922) has the molecular formula C32H28CrN8NaO10S2 and a molecular weight of 823.74 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Namesodium;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+)
PubChem CID135850922
Molecular FormulaC32H28CrN8NaO10S2
Molecular Weight823.74 g/mol
Exact Mass823.07
IUPAC Namesodium;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+)
SMILESC/C([O-])=C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.C/C([O-])=C(\N=N\c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.[Cr+3].[Na+]
InChIInChI=1S/2C16H16N4O5S.Cr.Na/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*2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);;/q;;+3;+1/p-4/b15-10+,20-19+;15-10-,20-19+;;
InChIKeyBSODSOZSWPUPNL-PTSDWGNHSA-J
XLogP-1.55
TPSA320.20 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.74
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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 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+) with MolForge

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Related Compounds

bis(2-[[(Z)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+)
CID 138394503
bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylphenolate);cobalt(2+);hydron
CID 156592327
sodium;bis(2-[[(E)-1-anilino-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-5-sulfamoylphenolate);cobalt(3+)
CID 165360930
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
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
bis(2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-nitrophenolate);butan-1-amine;cobalt(3+);hydron
CID 135990919
sodium;chromium(3+);bis(2-[[(Z)-1-(2-methylanilino)-1-oxido-3-oxobut-1-en-2-yl]diazenyl]-4-sulfamoylbenzoate)
CID 165360752
4-(4-carboxyanilino)-3-[(2-carboxyphenyl)diazenyl]-4-oxobut-2-en-2-olate
CID 152777341
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
copper 2-[[3-oxido-1-oxo-1-[4-(2-sulfooxyethylsulfonyl)anilino]but-2-en-2-yl]diazenyl]-5-sulfophenolate
CID 170853751
3-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 177442987

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is C/C([O-])=C(/N=N/c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.C/C([O-])=C(\N=N\c1cc(S(N)(=O)=O)ccc1[O-])C(=O)Nc1ccccc1.[Cr+3].[Na+].
What is the InChIKey of 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+)?
The InChIKey is BSODSOZSWPUPNL-PTSDWGNHSA-J. The full InChI is InChI=1S/2C16H16N4O5S.Cr.Na/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*2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);;/q;;+3;+1/p-4/b15-10+,20-19+;15-10-,20-19+;;.
What are the key properties of 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+)?
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+) has a molecular weight of 823.74 g/mol, XLogP of -1.55, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 135850922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).