5-bromo-4-chlorothiophene-2-sulfonyl chloride

C4HBrCl2O2S2 — CID 20623924

IUPAC5-bromo-4-chlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C4HBrCl2O2S2/c5-4-2(6)1-3(10-4)11(7,8)9/h1H
InChIKeyBOTXTRFDSZKAKX-UHFFFAOYSA-N
MW295.99 g/mol
LogP3.09
Rot. Bonds1

About 5-bromo-4-chlorothiophene-2-sulfonyl chloride

5-bromo-4-chlorothiophene-2-sulfonyl chloride (PubChem CID 20623924) has the molecular formula C4HBrCl2O2S2 and a molecular weight of 295.99 g/mol. Its IUPAC name is 5-bromo-4-chlorothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-4-chlorothiophene-2-sulfonyl chloride
PubChem CID20623924
Molecular FormulaC4HBrCl2O2S2
Molecular Weight295.99 g/mol
Exact Mass293.80
IUPAC Name5-bromo-4-chlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C4HBrCl2O2S2/c5-4-2(6)1-3(10-4)11(7,8)9/h1H
InChIKeyBOTXTRFDSZKAKX-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.99
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chlorothiophene-2-sulfonyl chloride?
The IUPAC name of 5-bromo-4-chlorothiophene-2-sulfonyl chloride (CID 20623924) is 5-bromo-4-chlorothiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-bromo-4-chlorothiophene-2-sulfonyl chloride?
The canonical SMILES for 5-bromo-4-chlorothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chlorothiophene-2-sulfonyl chloride?
The InChIKey is BOTXTRFDSZKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrCl2O2S2/c5-4-2(6)1-3(10-4)11(7,8)9/h1H.
What are the key properties of 5-bromo-4-chlorothiophene-2-sulfonyl chloride?
5-bromo-4-chlorothiophene-2-sulfonyl chloride has a molecular weight of 295.99 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chlorothiophene-2-sulfonyl chloride is sourced from PubChem (CID 20623924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).