2,5-dichlorothiophene-3-sulfonyl chloride

C4HCl3O2S2 — CID 2736094

IUPAC2,5-dichlorothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
InChIKeyJJKSHSHZJOWSEC-UHFFFAOYSA-N
MW251.54 g/mol
LogP2.98
Rot. Bonds1

About 2,5-dichlorothiophene-3-sulfonyl chloride

2,5-dichlorothiophene-3-sulfonyl chloride (PubChem CID 2736094) has the molecular formula C4HCl3O2S2 and a molecular weight of 251.54 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-sulfonyl chloride
PubChem CID2736094
Molecular FormulaC4HCl3O2S2
Molecular Weight251.54 g/mol
Exact Mass249.85
IUPAC Name2,5-dichlorothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
InChIKeyJJKSHSHZJOWSEC-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorothiophene-3-sulfonyl chloride?
The IUPAC name of 2,5-dichlorothiophene-3-sulfonyl chloride (CID 2736094) is 2,5-dichlorothiophene-3-sulfonyl chloride.
What is the SMILES notation for 2,5-dichlorothiophene-3-sulfonyl chloride?
The canonical SMILES for 2,5-dichlorothiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-sulfonyl chloride?
The InChIKey is JJKSHSHZJOWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H.
What are the key properties of 2,5-dichlorothiophene-3-sulfonyl chloride?
2,5-dichlorothiophene-3-sulfonyl chloride has a molecular weight of 251.54 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene-3-sulfonyl chloride is sourced from PubChem (CID 2736094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).