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

C16H12N2O7S2 — CID 135467867

IUPAC6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1
InChIInChI=1S/C16H12N2O7S2/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyQWYVRECQYPMXDY-ISLYRVAYSA-N
MW408.41 g/mol
LogP3.45
Rot. Bonds4

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

6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 135467867) has the molecular formula C16H12N2O7S2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID135467867
Molecular FormulaC16H12N2O7S2
Molecular Weight408.41 g/mol
Exact Mass408.01
IUPAC Name6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1
InChIInChI=1S/C16H12N2O7S2/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyQWYVRECQYPMXDY-ISLYRVAYSA-N
XLogP3.45
TPSA153.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
CID 137235039
CID 137235039
sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135421994
CID 170850429
CID 170850429
CID 170839374
CID 170839374
6-hydroxy-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 16869
5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135565739
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135422001
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
CID 156592243
CID 156592243

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 135467867) is 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1.
What is the InChIKey of 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is QWYVRECQYPMXDY-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O7S2/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+.
What are the key properties of 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 408.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 135467867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).