disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate

C32H22CoN6Na2O8S2 — CID 170841737

IUPACdisodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
SMILESNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)ccc3ccccc23)c1.[Co+2].[H]N=S(=O)([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Na+].[Na+]
InChIInChI=1S/2C16H13N3O4S.Co.2Na/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;;+2;2*+1/p-4/b2*19-18+;;;
InChIKeyXQWWJRPOKLIETN-CKOIWFHQSA-J
MW787.61 g/mol
LogP-0.37
Rot. Bonds6

About disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate

disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate (PubChem CID 170841737) has the molecular formula C32H22CoN6Na2O8S2 and a molecular weight of 787.61 g/mol. Its IUPAC name is disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate.

Molecular Properties

Compound Namedisodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
PubChem CID170841737
Molecular FormulaC32H22CoN6Na2O8S2
Molecular Weight787.61 g/mol
Exact Mass787.01
IUPAC Namedisodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
SMILESNS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)ccc3ccccc23)c1.[Co+2].[H]N=S(=O)([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Na+].[Na+]
InChIInChI=1S/2C16H13N3O4S.Co.2Na/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;;+2;2*+1/p-4/b2*19-18+;;;
InChIKeyXQWWJRPOKLIETN-CKOIWFHQSA-J
XLogP-0.37
TPSA262.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.61
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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

cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
CID 156595506
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;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
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
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 170852043
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681
sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
CID 154734699

Frequently Asked Questions

What is the IUPAC name of disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate?
The IUPAC name of disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate (CID 170841737) is disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate.
What is the SMILES notation for disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate?
The canonical SMILES for disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate is NS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)ccc3ccccc23)c1.[Co+2].[H]N=S(=O)([O-])c1ccc([O-])c(/N=N/c2c([O-])ccc3ccccc23)c1.[Na+].[Na+].
What is the InChIKey of disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate?
The InChIKey is XQWWJRPOKLIETN-CKOIWFHQSA-J. The full InChI is InChI=1S/2C16H13N3O4S.Co.2Na/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;;+2;2*+1/p-4/b2*19-18+;;;.
What are the key properties of disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate?
disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate has a molecular weight of 787.61 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate is sourced from PubChem (CID 170841737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).