4-chloro-3,5-difluorothiophene-2-sulfonic acid

C4HClF2O3S2 — CID 126750063

IUPAC4-chloro-3,5-difluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(Cl)c1F
InChIInChI=1S/C4HClF2O3S2/c5-1-2(6)4(11-3(1)7)12(8,9)10/h(H,8,9,10)
InChIKeyLRJBBXGCGZYPDN-UHFFFAOYSA-N
MW234.63 g/mol
LogP1.93
Rot. Bonds1

About 4-chloro-3,5-difluorothiophene-2-sulfonic acid

4-chloro-3,5-difluorothiophene-2-sulfonic acid (PubChem CID 126750063) has the molecular formula C4HClF2O3S2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 4-chloro-3,5-difluorothiophene-2-sulfonic acid.

Molecular Properties

Compound Name4-chloro-3,5-difluorothiophene-2-sulfonic acid
PubChem CID126750063
Molecular FormulaC4HClF2O3S2
Molecular Weight234.63 g/mol
Exact Mass233.90
IUPAC Name4-chloro-3,5-difluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(Cl)c1F
InChIInChI=1S/C4HClF2O3S2/c5-1-2(6)4(11-3(1)7)12(8,9)10/h(H,8,9,10)
InChIKeyLRJBBXGCGZYPDN-UHFFFAOYSA-N
XLogP1.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 51.93
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

3,4,5-Trifluorothiophene-2-sulfonic acid
CID 21419904
3-Chloro-4-fluorothiophene-2,5-disulfonic acid
CID 126749921
4-Chloro-5-fluorothiophene-3-sulfonic acid
CID 126749925
5-Chloro-2,4-difluorothiophene-3-sulfonic acid
CID 126749928
3-Chloro-5-fluorothiophene-2,4-disulfonic acid
CID 126749929
5-Chloro-3-fluorothiophene-2,4-disulfonic acid
CID 126749938
4,5-Dichloro-2-fluorothiophene-3-sulfonic acid
CID 126749940
4-Chloro-2-fluorothiophene-3-sulfonic acid
CID 126749946
4-Chloro-2,5-difluorothiophene-3-sulfonic acid
CID 126749951
3-Chloro-4,5-difluorothiophene-2-sulfonic acid
CID 126749962
2,5-Dichloro-4-fluorothiophene-3-sulfonic acid
CID 126749972
2,4,5-Trifluorothiophene-3-sulfonic acid
CID 126749973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-difluorothiophene-2-sulfonic acid?
The IUPAC name of 4-chloro-3,5-difluorothiophene-2-sulfonic acid (CID 126750063) is 4-chloro-3,5-difluorothiophene-2-sulfonic acid.
What is the SMILES notation for 4-chloro-3,5-difluorothiophene-2-sulfonic acid?
The canonical SMILES for 4-chloro-3,5-difluorothiophene-2-sulfonic acid is O=S(=O)(O)c1sc(F)c(Cl)c1F.
What is the InChIKey of 4-chloro-3,5-difluorothiophene-2-sulfonic acid?
The InChIKey is LRJBBXGCGZYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF2O3S2/c5-1-2(6)4(11-3(1)7)12(8,9)10/h(H,8,9,10).
What are the key properties of 4-chloro-3,5-difluorothiophene-2-sulfonic acid?
4-chloro-3,5-difluorothiophene-2-sulfonic acid has a molecular weight of 234.63 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-difluorothiophene-2-sulfonic acid is sourced from PubChem (CID 126750063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).