sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide

C16H9ClCrN2NaO6S — CID 165360712

IUPACsodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3].[Na+].[OH-]
InChIInChI=1S/C16H11ClN2O5S.Cr.Na.H2O/c17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;;;/h1-8,20-21H,(H,22,23,24);;;1H2/q;+3;+1;/p-4/b19-18+;;;
InChIKeyJKOLTEBICFEHJZ-HRBIVCMLSA-J
MW467.76 g/mol
LogP-0.22
Rot. Bonds3

About sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide

sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide (PubChem CID 165360712) has the molecular formula C16H9ClCrN2NaO6S and a molecular weight of 467.76 g/mol. Its IUPAC name is sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide.

Molecular Properties

Compound Namesodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
PubChem CID165360712
Molecular FormulaC16H9ClCrN2NaO6S
Molecular Weight467.76 g/mol
Exact Mass466.92
IUPAC Namesodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3].[Na+].[OH-]
InChIInChI=1S/C16H11ClN2O5S.Cr.Na.H2O/c17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;;;/h1-8,20-21H,(H,22,23,24);;;1H2/q;+3;+1;/p-4/b19-18+;;;
InChIKeyJKOLTEBICFEHJZ-HRBIVCMLSA-J
XLogP-0.22
TPSA158.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.76
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)
CID 170853587
5-[(4-chlorophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;5-methyl-6-oxidonaphthalene-2-sulfonate
CID 90816614
aluminum 5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate
CID 171390238
triazanium;dicopper;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 165361182
dicopper;trisodium;8-oxido-7-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
CID 165361201
disodium;6-amino-5-[(4-chloro-2-sulfophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 102267590
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
sodium;chromium(3+);bis(1-[[5-(3-methoxypropylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate)
CID 154734699
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
CID 156595506
sodium 5-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2-sulfonate
CID 135482636
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975

Frequently Asked Questions

What is the IUPAC name of sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide?
The IUPAC name of sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide (CID 165360712) is sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide.
What is the SMILES notation for sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide?
The canonical SMILES for sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide is O=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3].[Na+].[OH-].
What is the InChIKey of sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide?
The InChIKey is JKOLTEBICFEHJZ-HRBIVCMLSA-J. The full InChI is InChI=1S/C16H11ClN2O5S.Cr.Na.H2O/c17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;;;/h1-8,20-21H,(H,22,23,24);;;1H2/q;+3;+1;/p-4/b19-18+;;;.
What are the key properties of sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide?
sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide has a molecular weight of 467.76 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide is sourced from PubChem (CID 165360712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).