sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)

C36H32CoN4NaO8S2+ — CID 170839898

IUPACsodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
SMILESCCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.CCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Co].[Na+]
InChIInChI=1S/2C18H16N2O4S.Co.Na/c2*1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h2*3-11,21-22H,2H2,1H3;;/q;;;+1/b2*20-19+;;
InChIKeyRVAMKABKXRYODP-NAYDCRHMSA-N
MW794.73 g/mol
LogP5.92
Rot. Bonds8

About sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)

sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol) (PubChem CID 170839898) has the molecular formula C36H32CoN4NaO8S2+ and a molecular weight of 794.73 g/mol. Its IUPAC name is sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol).

Molecular Properties

Compound Namesodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
PubChem CID170839898
Molecular FormulaC36H32CoN4NaO8S2+
Molecular Weight794.73 g/mol
Exact Mass794.09
IUPAC Namesodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
SMILESCCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.CCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Co].[Na+]
InChIInChI=1S/2C18H16N2O4S.Co.Na/c2*1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h2*3-11,21-22H,2H2,1H3;;/q;;;+1/b2*20-19+;;
InChIKeyRVAMKABKXRYODP-NAYDCRHMSA-N
XLogP5.92
TPSA198.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.73
LogP ≤ 55.92
H-Bond Donors ≤ 54
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

sodium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-methyl-4-sulfophenolate
CID 170846181
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
CID 170843851
CID 170843851
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
CID 2748965
1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol
CID 149280827
disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
CID 170841737
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
sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 170846797
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681

Frequently Asked Questions

What is the IUPAC name of sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)?
The IUPAC name of sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol) (CID 170839898) is sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol).
What is the SMILES notation for sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)?
The canonical SMILES for sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol) is CCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.CCS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.[Co].[Na+].
What is the InChIKey of sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)?
The InChIKey is RVAMKABKXRYODP-NAYDCRHMSA-N. The full InChI is InChI=1S/2C18H16N2O4S.Co.Na/c2*1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h2*3-11,21-22H,2H2,1H3;;/q;;;+1/b2*20-19+;;.
What are the key properties of sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)?
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol) has a molecular weight of 794.73 g/mol, XLogP of 5.92, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol) is sourced from PubChem (CID 170839898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).