4-hydroxybenzenesulfonic acid

C6H6O4S — CID 4765

IUPAC4-hydroxybenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)cc1
InChIInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChIKeyFEPBITJSIHRMRT-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.64
Rot. Bonds1

About 4-hydroxybenzenesulfonic acid

4-hydroxybenzenesulfonic acid (PubChem CID 4765) has the molecular formula C6H6O4S and a molecular weight of 174.18 g/mol. Its IUPAC name is 4-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name4-hydroxybenzenesulfonic acid
PubChem CID4765
Molecular FormulaC6H6O4S
Molecular Weight174.18 g/mol
Exact Mass174.00
IUPAC Name4-hydroxybenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)cc1
InChIInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChIKeyFEPBITJSIHRMRT-UHFFFAOYSA-N
XLogP0.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-hydroxybenzenesulfonic 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

Bisphenol S
CID 6626
Zinc Phenolsulfonate
CID 31391
p-Hydroxybenzenesulfonamide
CID 74093
Potassium dobesilate
CID 23672329
4-Mercaptophenol
CID 240147
2,5-Dihydroxybenzenesulfonic Acid
CID 17507
4-(Methylsulfonyl)phenol
CID 123350
Phenoldisulfonic acid
CID 66787
Sodium P-phenolsulfonate dihydrate
CID 23666329
Sodium 4-hydroxybenzenesulfonate
CID 4379756
4-Sulfophenol
CID 3010347
4-hydroxy-N,N-dimethylbenzenesulfonamide
CID 84760

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzenesulfonic acid?
The IUPAC name of 4-hydroxybenzenesulfonic acid (CID 4765) is 4-hydroxybenzenesulfonic acid.
What is the SMILES notation for 4-hydroxybenzenesulfonic acid?
The canonical SMILES for 4-hydroxybenzenesulfonic acid is O=S(=O)(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzenesulfonic acid?
The InChIKey is FEPBITJSIHRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10).
What are the key properties of 4-hydroxybenzenesulfonic acid?
4-hydroxybenzenesulfonic acid has a molecular weight of 174.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzenesulfonic acid is sourced from PubChem (CID 4765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).