5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid

C19H13N3O4S — CID 3616901

IUPAC5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c(/N=N/c3ccc(O)c4ncccc34)cccc12
InChIInChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)/b22-21+
InChIKeyCWPNTHMHJUMFNM-QURGRASLSA-N
MW379.40 g/mol
LogP4.76
Rot. Bonds3

About 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid

5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 3616901) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID3616901
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c(/N=N/c3ccc(O)c4ncccc34)cccc12
InChIInChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)/b22-21+
InChIKeyCWPNTHMHJUMFNM-QURGRASLSA-N
XLogP4.76
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid (CID 3616901) is 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2c(/N=N/c3ccc(O)c4ncccc34)cccc12.
What is the InChIKey of 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is CWPNTHMHJUMFNM-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)/b22-21+.
What are the key properties of 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid?
5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 379.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 3616901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).