5-bromothiophene-3-sulfonyl chloride

C4H2BrClO2S2 — CID 130737016

IUPAC5-bromothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc(Br)c1
InChIInChI=1S/C4H2BrClO2S2/c5-4-1-3(2-9-4)10(6,7)8/h1-2H
InChIKeyBQCZDFQXKWXXMN-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.44
Rot. Bonds1

About 5-bromothiophene-3-sulfonyl chloride

5-bromothiophene-3-sulfonyl chloride (PubChem CID 130737016) has the molecular formula C4H2BrClO2S2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 5-bromothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromothiophene-3-sulfonyl chloride
PubChem CID130737016
Molecular FormulaC4H2BrClO2S2
Molecular Weight261.55 g/mol
Exact Mass259.84
IUPAC Name5-bromothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc(Br)c1
InChIInChI=1S/C4H2BrClO2S2/c5-4-1-3(2-9-4)10(6,7)8/h1-2H
InChIKeyBQCZDFQXKWXXMN-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-3-sulfonyl chloride?
The IUPAC name of 5-bromothiophene-3-sulfonyl chloride (CID 130737016) is 5-bromothiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-bromothiophene-3-sulfonyl chloride?
The canonical SMILES for 5-bromothiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1csc(Br)c1.
What is the InChIKey of 5-bromothiophene-3-sulfonyl chloride?
The InChIKey is BQCZDFQXKWXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClO2S2/c5-4-1-3(2-9-4)10(6,7)8/h1-2H.
What are the key properties of 5-bromothiophene-3-sulfonyl chloride?
5-bromothiophene-3-sulfonyl chloride has a molecular weight of 261.55 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiophene-3-sulfonyl chloride is sourced from PubChem (CID 130737016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).