5-formylfuran-2-sulfonic acid

C5H4O5S — CID 2724001

IUPAC5-formylfuran-2-sulfonic acid
SMILESO=Cc1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C5H4O5S/c6-3-4-1-2-5(10-4)11(7,8)9/h1-3H,(H,7,8,9)
InChIKeyURIMPWMBVPNFDM-UHFFFAOYSA-N
MW176.15 g/mol
LogP0.34
Rot. Bonds2

About 5-formylfuran-2-sulfonic acid

5-formylfuran-2-sulfonic acid (PubChem CID 2724001) has the molecular formula C5H4O5S and a molecular weight of 176.15 g/mol. Its IUPAC name is 5-formylfuran-2-sulfonic acid.

Molecular Properties

Compound Name5-formylfuran-2-sulfonic acid
PubChem CID2724001
Molecular FormulaC5H4O5S
Molecular Weight176.15 g/mol
Exact Mass175.98
IUPAC Name5-formylfuran-2-sulfonic acid
SMILESO=Cc1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C5H4O5S/c6-3-4-1-2-5(10-4)11(7,8)9/h1-3H,(H,7,8,9)
InChIKeyURIMPWMBVPNFDM-UHFFFAOYSA-N
XLogP0.34
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formylfuran-2-sulfonic acid?
The IUPAC name of 5-formylfuran-2-sulfonic acid (CID 2724001) is 5-formylfuran-2-sulfonic acid.
What is the SMILES notation for 5-formylfuran-2-sulfonic acid?
The canonical SMILES for 5-formylfuran-2-sulfonic acid is O=Cc1ccc(S(=O)(=O)O)o1.
What is the InChIKey of 5-formylfuran-2-sulfonic acid?
The InChIKey is URIMPWMBVPNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O5S/c6-3-4-1-2-5(10-4)11(7,8)9/h1-3H,(H,7,8,9).
What are the key properties of 5-formylfuran-2-sulfonic acid?
5-formylfuran-2-sulfonic acid has a molecular weight of 176.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylfuran-2-sulfonic acid is sourced from PubChem (CID 2724001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).