4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

C20H14N2O4S — CID 15454

IUPAC4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
InChIKeyJSAKRLDIZOGQTN-QURGRASLSA-N
MW378.41 g/mol
LogP5.36
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 15454) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID15454
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
InChIKeyJSAKRLDIZOGQTN-QURGRASLSA-N
XLogP5.36
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (CID 15454) is 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is JSAKRLDIZOGQTN-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 378.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 15454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).