dibenzofuran-2-sulfonic acid

C12H8O4S — CID 522803

IUPACdibenzofuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)
InChIKeyJANFYPHFIPGYTQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.83
Rot. Bonds1

About dibenzofuran-2-sulfonic acid

dibenzofuran-2-sulfonic acid (PubChem CID 522803) has the molecular formula C12H8O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is dibenzofuran-2-sulfonic acid.

Molecular Properties

Compound Namedibenzofuran-2-sulfonic acid
PubChem CID522803
Molecular FormulaC12H8O4S
Molecular Weight248.26 g/mol
Exact Mass248.01
IUPAC Namedibenzofuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)
InChIKeyJANFYPHFIPGYTQ-UHFFFAOYSA-N
XLogP2.83
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-sulfonic acid?
The IUPAC name of dibenzofuran-2-sulfonic acid (CID 522803) is dibenzofuran-2-sulfonic acid.
What is the SMILES notation for dibenzofuran-2-sulfonic acid?
The canonical SMILES for dibenzofuran-2-sulfonic acid is O=S(=O)(O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-sulfonic acid?
The InChIKey is JANFYPHFIPGYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15).
What are the key properties of dibenzofuran-2-sulfonic acid?
dibenzofuran-2-sulfonic acid has a molecular weight of 248.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-sulfonic acid is sourced from PubChem (CID 522803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).