4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid

C12H10N2O4S — CID 17501

IUPAC4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+
InChIKeyCNYMBHPFLJWLJW-BUHFOSPRSA-N
MW278.29 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid

4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid (PubChem CID 17501) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
PubChem CID17501
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+
InChIKeyCNYMBHPFLJWLJW-BUHFOSPRSA-N
XLogP3.05
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.05
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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Related Compounds

4-Hydroxyazobenzene
CID 15529
C.I. Acid Orange 6
CID 2728027
N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
4-((4-Hydroxyphenyl)diazenyl)benzenesulfonamide
CID 404195
p-Aminophenol sulfate
CID 45158326
4,4'-Dihydroxyazobenzene
CID 101245
Benzenesulfonic acid, 3-[2-(2,4-dihydroxyphenyl)diazenyl]-4-hydroxy-
CID 76216
4-[2-(2,4-Dihydroxyphenyl)diazenyl]benzenesulfonic acid
CID 11035
3-((4-Hydroxyphenyl)diazenyl)benzenesulfonamide
CID 135932620
Phenyl sulfanilate
CID 4426510
p-Phenyldiazenyl derivative, 7
CID 135930320
p-Phenyldiazenyl derivative, 8
CID 135930321

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid (CID 17501) is 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is CNYMBHPFLJWLJW-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+.
What are the key properties of 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid?
4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 278.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 17501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).