furan-2-sulfonic acid

C4H4O4S — CID 3019096

IUPACfuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccco1
InChIInChI=1S/C4H4O4S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H,5,6,7)
InChIKeyOKSYMZKKVJYKKJ-UHFFFAOYSA-N
MW148.14 g/mol
LogP0.53
Rot. Bonds1

About furan-2-sulfonic acid

furan-2-sulfonic acid (PubChem CID 3019096) has the molecular formula C4H4O4S and a molecular weight of 148.14 g/mol. Its IUPAC name is furan-2-sulfonic acid.

Molecular Properties

Compound Namefuran-2-sulfonic acid
PubChem CID3019096
Molecular FormulaC4H4O4S
Molecular Weight148.14 g/mol
Exact Mass147.98
IUPAC Namefuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccco1
InChIInChI=1S/C4H4O4S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H,5,6,7)
InChIKeyOKSYMZKKVJYKKJ-UHFFFAOYSA-N
XLogP0.53
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 50.53
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 furan-2-sulfonic acid?
The IUPAC name of furan-2-sulfonic acid (CID 3019096) is furan-2-sulfonic acid.
What is the SMILES notation for furan-2-sulfonic acid?
The canonical SMILES for furan-2-sulfonic acid is O=S(=O)(O)c1ccco1.
What is the InChIKey of furan-2-sulfonic acid?
The InChIKey is OKSYMZKKVJYKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H,5,6,7).
What are the key properties of furan-2-sulfonic acid?
furan-2-sulfonic acid has a molecular weight of 148.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-sulfonic acid is sourced from PubChem (CID 3019096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).