3,5-dichlorothiophene-2-sulfonyl fluoride

C4HCl2FO2S2 — CID 167740277

IUPAC3,5-dichlorothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1sc(Cl)cc1Cl
InChIInChI=1S/C4HCl2FO2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H
InChIKeyONNPQAJTJXYVQP-UHFFFAOYSA-N
MW235.09 g/mol
LogP2.71
Rot. Bonds1

About 3,5-dichlorothiophene-2-sulfonyl fluoride

3,5-dichlorothiophene-2-sulfonyl fluoride (PubChem CID 167740277) has the molecular formula C4HCl2FO2S2 and a molecular weight of 235.09 g/mol. Its IUPAC name is 3,5-dichlorothiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name3,5-dichlorothiophene-2-sulfonyl fluoride
PubChem CID167740277
Molecular FormulaC4HCl2FO2S2
Molecular Weight235.09 g/mol
Exact Mass233.88
IUPAC Name3,5-dichlorothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1sc(Cl)cc1Cl
InChIInChI=1S/C4HCl2FO2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H
InChIKeyONNPQAJTJXYVQP-UHFFFAOYSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorothiophene-2-sulfonyl fluoride?
The IUPAC name of 3,5-dichlorothiophene-2-sulfonyl fluoride (CID 167740277) is 3,5-dichlorothiophene-2-sulfonyl fluoride.
What is the SMILES notation for 3,5-dichlorothiophene-2-sulfonyl fluoride?
The canonical SMILES for 3,5-dichlorothiophene-2-sulfonyl fluoride is O=S(=O)(F)c1sc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichlorothiophene-2-sulfonyl fluoride?
The InChIKey is ONNPQAJTJXYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2FO2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H.
What are the key properties of 3,5-dichlorothiophene-2-sulfonyl fluoride?
3,5-dichlorothiophene-2-sulfonyl fluoride has a molecular weight of 235.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorothiophene-2-sulfonyl fluoride is sourced from PubChem (CID 167740277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).