4-bromothiophene-2-sulfonyl chloride

C4H2BrClO2S2 — CID 22485765

IUPAC4-bromothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cs1
InChIInChI=1S/C4H2BrClO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKeyIMVRMHNCGCAEES-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.44
Rot. Bonds1

About 4-bromothiophene-2-sulfonyl chloride

4-bromothiophene-2-sulfonyl chloride (PubChem CID 22485765) has the molecular formula C4H2BrClO2S2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-bromothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-bromothiophene-2-sulfonyl chloride
PubChem CID22485765
Molecular FormulaC4H2BrClO2S2
Molecular Weight261.55 g/mol
Exact Mass259.84
IUPAC Name4-bromothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cs1
InChIInChI=1S/C4H2BrClO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKeyIMVRMHNCGCAEES-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 4-bromothiophene-2-sulfonyl chloride?
The IUPAC name of 4-bromothiophene-2-sulfonyl chloride (CID 22485765) is 4-bromothiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-bromothiophene-2-sulfonyl chloride?
The canonical SMILES for 4-bromothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-sulfonyl chloride?
The InChIKey is IMVRMHNCGCAEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H.
What are the key properties of 4-bromothiophene-2-sulfonyl chloride?
4-bromothiophene-2-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 4-bromothiophene-2-sulfonyl chloride is sourced from PubChem (CID 22485765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).