6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

C16H12N2O4S — CID 136742448

IUPAC6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(/N=N/c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C16H12N2O4S/c19-15-6-4-13(5-7-15)17-18-14-3-1-12-10-16(23(20,21)22)8-2-11(12)9-14/h1-10,19H,(H,20,21,22)/b18-17+
InChIKeyGLKBSJFKCMNOJM-ISLYRVAYSA-N
MW328.35 g/mol
LogP4.21
Rot. Bonds3

About 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 136742448) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID136742448
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(/N=N/c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C16H12N2O4S/c19-15-6-4-13(5-7-15)17-18-14-3-1-12-10-16(23(20,21)22)8-2-11(12)9-14/h1-10,19H,(H,20,21,22)/b18-17+
InChIKeyGLKBSJFKCMNOJM-ISLYRVAYSA-N
XLogP4.21
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.21
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 6-[(4-hydroxyphenyl)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

6-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136742455
6-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136742454
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 136679511
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
SODIUM 5-(4-CL-PH-AZO)-6-HO-NAPHTHALENE-2-SULFONATE(ACID ORANGE 31 C.I. 15995)
CID 137228287
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
naphthalene-2-sulfonic acid
CID 8420
7-[[2,6-dihydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135854012

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (CID 136742448) is 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc(/N=N/c3ccc(O)cc3)ccc2c1.
What is the InChIKey of 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is GLKBSJFKCMNOJM-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-15-6-4-13(5-7-15)17-18-14-3-1-12-10-16(23(20,21)22)8-2-11(12)9-14/h1-10,19H,(H,20,21,22)/b18-17+.
What are the key properties of 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 328.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 136742448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).