5-chloro-4-fluorothiophene-3-sulfonic acid

C4H2ClFO3S2 — CID 126749934

IUPAC5-chloro-4-fluorothiophene-3-sulfonic acid
SMILESO=S(=O)(O)c1csc(Cl)c1F
InChIInChI=1S/C4H2ClFO3S2/c5-4-3(6)2(1-10-4)11(7,8)9/h1H,(H,7,8,9)
InChIKeyKQWQMTBQJPAFTF-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.79
Rot. Bonds1

About 5-chloro-4-fluorothiophene-3-sulfonic acid

5-chloro-4-fluorothiophene-3-sulfonic acid (PubChem CID 126749934) has the molecular formula C4H2ClFO3S2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 5-chloro-4-fluorothiophene-3-sulfonic acid.

Molecular Properties

Compound Name5-chloro-4-fluorothiophene-3-sulfonic acid
PubChem CID126749934
Molecular FormulaC4H2ClFO3S2
Molecular Weight216.64 g/mol
Exact Mass215.91
IUPAC Name5-chloro-4-fluorothiophene-3-sulfonic acid
SMILESO=S(=O)(O)c1csc(Cl)c1F
InChIInChI=1S/C4H2ClFO3S2/c5-4-3(6)2(1-10-4)11(7,8)9/h1H,(H,7,8,9)
InChIKeyKQWQMTBQJPAFTF-UHFFFAOYSA-N
XLogP1.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.79
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 5-chloro-4-fluorothiophene-3-sulfonic acid?
The IUPAC name of 5-chloro-4-fluorothiophene-3-sulfonic acid (CID 126749934) is 5-chloro-4-fluorothiophene-3-sulfonic acid.
What is the SMILES notation for 5-chloro-4-fluorothiophene-3-sulfonic acid?
The canonical SMILES for 5-chloro-4-fluorothiophene-3-sulfonic acid is O=S(=O)(O)c1csc(Cl)c1F.
What is the InChIKey of 5-chloro-4-fluorothiophene-3-sulfonic acid?
The InChIKey is KQWQMTBQJPAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFO3S2/c5-4-3(6)2(1-10-4)11(7,8)9/h1H,(H,7,8,9).
What are the key properties of 5-chloro-4-fluorothiophene-3-sulfonic acid?
5-chloro-4-fluorothiophene-3-sulfonic acid has a molecular weight of 216.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluorothiophene-3-sulfonic acid is sourced from PubChem (CID 126749934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).