8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid

C20H14N2O4S — CID 4189423

IUPAC8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cccc(/N=N/c3ccc(O)c4ccccc34)c2c1
InChIInChI=1S/C20H14N2O4S/c23-20-11-10-19(15-5-1-2-6-16(15)20)22-21-18-7-3-4-13-8-9-14(12-17(13)18)27(24,25)26/h1-12,23H,(H,24,25,26)/b22-21+
InChIKeyBSCYICKDCDCJEG-QURGRASLSA-N
MW378.41 g/mol
LogP5.36
Rot. Bonds3

About 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid

8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 4189423) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID4189423
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cccc(/N=N/c3ccc(O)c4ccccc34)c2c1
InChIInChI=1S/C20H14N2O4S/c23-20-11-10-19(15-5-1-2-6-16(15)20)22-21-18-7-3-4-13-8-9-14(12-17(13)18)27(24,25)26/h1-12,23H,(H,24,25,26)/b22-21+
InChIKeyBSCYICKDCDCJEG-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'}

Analyze 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170845569
CID 170845569
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
CID 137242223
CID 137242223
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(5-hydroxynaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
CID 140963073
CID 170839474
CID 170839474
6-hydroxy-4-methylsulfonyl-5-(naphthalen-1-yldiazenyl)naphthalene-2-sulfonic acid
CID 143879514
5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135665142
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
CID 136784114
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867

Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid (CID 4189423) is 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2cccc(/N=N/c3ccc(O)c4ccccc34)c2c1.
What is the InChIKey of 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is BSCYICKDCDCJEG-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-20-11-10-19(15-5-1-2-6-16(15)20)22-21-18-7-3-4-13-8-9-14(12-17(13)18)27(24,25)26/h1-12,23H,(H,24,25,26)/b22-21+.
What are the key properties of 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-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 8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 4189423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).