2-chloro-5-fluorothiophene-3-sulfonic acid

C4H2ClFO3S2 — CID 126749949

IUPAC2-chloro-5-fluorothiophene-3-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)sc1Cl
InChIInChI=1S/C4H2ClFO3S2/c5-4-2(11(7,8)9)1-3(6)10-4/h1H,(H,7,8,9)
InChIKeyQCSOTAOHCFKQCD-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.79
Rot. Bonds1

About 2-chloro-5-fluorothiophene-3-sulfonic acid

2-chloro-5-fluorothiophene-3-sulfonic acid (PubChem CID 126749949) has the molecular formula C4H2ClFO3S2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-chloro-5-fluorothiophene-3-sulfonic acid.

Molecular Properties

Compound Name2-chloro-5-fluorothiophene-3-sulfonic acid
PubChem CID126749949
Molecular FormulaC4H2ClFO3S2
Molecular Weight216.64 g/mol
Exact Mass215.91
IUPAC Name2-chloro-5-fluorothiophene-3-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)sc1Cl
InChIInChI=1S/C4H2ClFO3S2/c5-4-2(11(7,8)9)1-3(6)10-4/h1H,(H,7,8,9)
InChIKeyQCSOTAOHCFKQCD-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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Related Compounds

5-Chlorothiophene-2-sulfonyl chloride
CID 2733925
2,5-Dichlorothiophene-3-sulfonyl chloride
CID 2736094
2-Chlorothiophene-3-sulfonyl chloride
CID 21666744
Sodium 2,5-dichlorothiophene-3-sulfinate
CID 23683335
2,5-Dichlorothiophene-3-sulfonyl fluoride
CID 57430790
3,5-Dichlorothiophene-2-sulfonyl chloride
CID 85570396
Sodium 5-chlorothiophene-2-sulfinate
CID 23682315
5-Chlorothiophene-2-sulfonyl fluoride
CID 82282311
2,5-dichlorothiophene-3-sulfinic Acid
CID 2758229
5-Chloro-2-thiophenesulfonyl Bromide
CID 12874990
Sodium 5-chlorothiophene-2-sulfonate
CID 23683591
5-chlorothiophene-2-sulfinic Acid
CID 6861180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluorothiophene-3-sulfonic acid?
The IUPAC name of 2-chloro-5-fluorothiophene-3-sulfonic acid (CID 126749949) is 2-chloro-5-fluorothiophene-3-sulfonic acid.
What is the SMILES notation for 2-chloro-5-fluorothiophene-3-sulfonic acid?
The canonical SMILES for 2-chloro-5-fluorothiophene-3-sulfonic acid is O=S(=O)(O)c1cc(F)sc1Cl.
What is the InChIKey of 2-chloro-5-fluorothiophene-3-sulfonic acid?
The InChIKey is QCSOTAOHCFKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFO3S2/c5-4-2(11(7,8)9)1-3(6)10-4/h1H,(H,7,8,9).
What are the key properties of 2-chloro-5-fluorothiophene-3-sulfonic acid?
2-chloro-5-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 2-chloro-5-fluorothiophene-3-sulfonic acid is sourced from PubChem (CID 126749949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).