4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid

C12H10N2O5S — CID 11035

IUPAC4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+
InChIKeyMHKGJUOEEHNBLE-BUHFOSPRSA-N
MW294.29 g/mol
LogP2.76
Rot. Bonds3

About 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid

4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid (PubChem CID 11035) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid
PubChem CID11035
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+
InChIKeyMHKGJUOEEHNBLE-BUHFOSPRSA-N
XLogP2.76
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.76
H-Bond Donors ≤ 53
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 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid (CID 11035) is 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is MHKGJUOEEHNBLE-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+.
What are the key properties of 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid?
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 294.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 11035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).