sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid

C17H14N2NaO5S+ — CID 135421994

IUPACsodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCOc1ccccc1/N=N/c1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Na+]
InChIInChI=1S/C17H14N2O5S.Na/c1-24-16-5-3-2-4-14(16)18-19-17-13-8-7-12(25(21,22)23)10-11(13)6-9-15(17)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/b19-18+;
InChIKeyHHQQZJKABYRTCE-LTRPLHCISA-N
MW381.37 g/mol
LogP1.22
Rot. Bonds4

About sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid

sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 135421994) has the molecular formula C17H14N2NaO5S+ and a molecular weight of 381.37 g/mol. Its IUPAC name is sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Namesodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID135421994
Molecular FormulaC17H14N2NaO5S+
Molecular Weight381.37 g/mol
Exact Mass381.05
IUPAC Namesodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCOc1ccccc1/N=N/c1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Na+]
InChIInChI=1S/C17H14N2O5S.Na/c1-24-16-5-3-2-4-14(16)18-19-17-13-8-7-12(25(21,22)23)10-11(13)6-9-15(17)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/b19-18+;
InChIKeyHHQQZJKABYRTCE-LTRPLHCISA-N
XLogP1.22
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 156592243
CID 156592243
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
CID 137235039
CID 137235039
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
disodium;hydride;6-hydroxy-5-[(5-methoxy-2-methylthiophen-3-yl)diazenyl]naphthalene-2-sulfonic acid
CID 175232796
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
CID 170850429
CID 170850429
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135422001
3-[[4-[4-[(7-amino-2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136814830
CID 170839374
CID 170839374
6-hydroxy-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 16869
1-[[2-methoxy-5-methyl-4-(trihydroxy-λ4-sulfanyl)phenyl]diazenyl]-6-(trihydroxy-λ4-sulfanyl)naphthalen-2-ol
CID 137083326

Frequently Asked Questions

What is the IUPAC name of sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid (CID 135421994) is sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid is COc1ccccc1/N=N/c1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Na+].
What is the InChIKey of sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is HHQQZJKABYRTCE-LTRPLHCISA-N. The full InChI is InChI=1S/C17H14N2O5S.Na/c1-24-16-5-3-2-4-14(16)18-19-17-13-8-7-12(25(21,22)23)10-11(13)6-9-15(17)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/b19-18+;.
What are the key properties of sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 381.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 135421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).