4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

C16H12N2O7S2 — CID 136829722

IUPAC4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1
InChIInChI=1S/C16H12N2O7S2/c19-14-9-15(27(23,24)25)16(13-4-2-1-3-12(13)14)18-17-10-5-7-11(8-6-10)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyUSNLEVQGDYUZCV-ISLYRVAYSA-N
MW408.41 g/mol
LogP3.45
Rot. Bonds4

About 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 136829722) has the molecular formula C16H12N2O7S2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID136829722
Molecular FormulaC16H12N2O7S2
Molecular Weight408.41 g/mol
Exact Mass408.01
IUPAC Name4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1
InChIInChI=1S/C16H12N2O7S2/c19-14-9-15(27(23,24)25)16(13-4-2-1-3-12(13)14)18-17-10-5-7-11(8-6-10)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyUSNLEVQGDYUZCV-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

CID 170845110
CID 170845110
7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
CID 135819077
CID 170843851
CID 170843851
CID 156592425
CID 156592425
CID 137221871
CID 137221871
6-amino-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
CID 135627073
trisodium;4,5-dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 170919803
7-anilino-4-hydroxy-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136785066
3-hydroxy-4-[(3-methyl-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 136855701
CID 137180855
CID 137180855
CID 170850429
CID 170850429
sodium 4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135436511

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 136829722) is 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is USNLEVQGDYUZCV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O7S2/c19-14-9-15(27(23,24)25)16(13-4-2-1-3-12(13)14)18-17-10-5-7-11(8-6-10)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+.
What are the key properties of 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
4-hydroxy-1-[(4-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 4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 136829722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).