thiophene-3-sulfonyl chloride

C4H3ClO2S2 — CID 2776378

IUPACthiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccsc1
InChIInChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKeyYSPWSQNKRBSICH-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.68
Rot. Bonds1

About thiophene-3-sulfonyl chloride

thiophene-3-sulfonyl chloride (PubChem CID 2776378) has the molecular formula C4H3ClO2S2 and a molecular weight of 182.65 g/mol. Its IUPAC name is thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Namethiophene-3-sulfonyl chloride
PubChem CID2776378
Molecular FormulaC4H3ClO2S2
Molecular Weight182.65 g/mol
Exact Mass181.93
IUPAC Namethiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccsc1
InChIInChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKeyYSPWSQNKRBSICH-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene-3-sulfonyl chloride?
The IUPAC name of thiophene-3-sulfonyl chloride (CID 2776378) is thiophene-3-sulfonyl chloride.
What is the SMILES notation for thiophene-3-sulfonyl chloride?
The canonical SMILES for thiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1ccsc1.
What is the InChIKey of thiophene-3-sulfonyl chloride?
The InChIKey is YSPWSQNKRBSICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H.
What are the key properties of thiophene-3-sulfonyl chloride?
thiophene-3-sulfonyl chloride has a molecular weight of 182.65 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-sulfonyl chloride is sourced from PubChem (CID 2776378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).