5-hydroxy-2-phenylbenzenesulfonic acid

C12H10O4S — CID 19934117

IUPAC5-hydroxy-2-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C12H10O4S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyFHJBOSXFPBVMQC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.31
Rot. Bonds2

About 5-hydroxy-2-phenylbenzenesulfonic acid

5-hydroxy-2-phenylbenzenesulfonic acid (PubChem CID 19934117) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-hydroxy-2-phenylbenzenesulfonic acid.

Molecular Properties

Compound Name5-hydroxy-2-phenylbenzenesulfonic acid
PubChem CID19934117
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name5-hydroxy-2-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C12H10O4S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyFHJBOSXFPBVMQC-UHFFFAOYSA-N
XLogP2.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-phenylbenzenesulfonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenylbenzenesulfonic acid?
The IUPAC name of 5-hydroxy-2-phenylbenzenesulfonic acid (CID 19934117) is 5-hydroxy-2-phenylbenzenesulfonic acid.
What is the SMILES notation for 5-hydroxy-2-phenylbenzenesulfonic acid?
The canonical SMILES for 5-hydroxy-2-phenylbenzenesulfonic acid is O=S(=O)(O)c1cc(O)ccc1-c1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenylbenzenesulfonic acid?
The InChIKey is FHJBOSXFPBVMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17(14,15)16/h1-8,13H,(H,14,15,16).
What are the key properties of 5-hydroxy-2-phenylbenzenesulfonic acid?
5-hydroxy-2-phenylbenzenesulfonic acid has a molecular weight of 250.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenylbenzenesulfonic acid is sourced from PubChem (CID 19934117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).