cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)

C32H23CoN6O8S2 — CID 156595506

IUPACcobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
SMILESNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Co+3].[H+]
InChIInChI=1S/2C16H13N3O4S.Co/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H,(H2,17,22,23);/q;;+3/p-3/b2*19-18+;
InChIKeyALIFLTZAPABVDH-VFUQPONKSA-K
MW742.64 g/mol
LogP4.21
Rot. Bonds6

About cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)

cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate) (PubChem CID 156595506) has the molecular formula C32H23CoN6O8S2 and a molecular weight of 742.64 g/mol. Its IUPAC name is cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate).

Molecular Properties

Compound Namecobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
PubChem CID156595506
Molecular FormulaC32H23CoN6O8S2
Molecular Weight742.64 g/mol
Exact Mass742.04
IUPAC Namecobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
SMILESNS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Co+3].[H+]
InChIInChI=1S/2C16H13N3O4S.Co/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H,(H2,17,22,23);/q;;+3/p-3/b2*19-18+;
InChIKeyALIFLTZAPABVDH-VFUQPONKSA-K
XLogP4.21
TPSA262.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.64
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
CID 170841737
sodium;chromium(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-sulfamoylphenolate;1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
CID 165360700
sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
CID 154734699
chromium(3+);3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170845785
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)
CID 139088105
sodium 1-[(4-chloro-5-methyl-2-sulfophenyl)diazenyl]naphthalen-2-olate
CID 102269573
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
sodium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-methyl-4-sulfophenolate
CID 170846181
barium(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid;5-methyl-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 136694057
sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
CID 165360712
calcium;disodium;bis(4-carboxy-5-chloro-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate)
CID 135565416

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)?
The IUPAC name of cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate) (CID 156595506) is cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate).
What is the SMILES notation for cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)?
The canonical SMILES for cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate) is NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.NS(=O)(=O)c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Co+3].[H+].
What is the InChIKey of cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)?
The InChIKey is ALIFLTZAPABVDH-VFUQPONKSA-K. The full InChI is InChI=1S/2C16H13N3O4S.Co/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H,(H2,17,22,23);/q;;+3/p-3/b2*19-18+;.
What are the key properties of cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)?
cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate) has a molecular weight of 742.64 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate) is sourced from PubChem (CID 156595506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).