5-chlorothiophene-2-sulfonyl bromide

C4H2BrClO2S2 — CID 12874990

IUPAC5-chlorothiophene-2-sulfonyl bromide
SMILESO=S(=O)(Br)c1ccc(Cl)s1
InChIInChI=1S/C4H2BrClO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H
InChIKeyNRPHOTPZLMTNRM-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.49
Rot. Bonds1

About 5-chlorothiophene-2-sulfonyl bromide

5-chlorothiophene-2-sulfonyl bromide (PubChem CID 12874990) has the molecular formula C4H2BrClO2S2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 5-chlorothiophene-2-sulfonyl bromide.

Molecular Properties

Compound Name5-chlorothiophene-2-sulfonyl bromide
PubChem CID12874990
Molecular FormulaC4H2BrClO2S2
Molecular Weight261.55 g/mol
Exact Mass259.84
IUPAC Name5-chlorothiophene-2-sulfonyl bromide
SMILESO=S(=O)(Br)c1ccc(Cl)s1
InChIInChI=1S/C4H2BrClO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H
InChIKeyNRPHOTPZLMTNRM-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-2-sulfonyl bromide?
The IUPAC name of 5-chlorothiophene-2-sulfonyl bromide (CID 12874990) is 5-chlorothiophene-2-sulfonyl bromide.
What is the SMILES notation for 5-chlorothiophene-2-sulfonyl bromide?
The canonical SMILES for 5-chlorothiophene-2-sulfonyl bromide is O=S(=O)(Br)c1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-sulfonyl bromide?
The InChIKey is NRPHOTPZLMTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H.
What are the key properties of 5-chlorothiophene-2-sulfonyl bromide?
5-chlorothiophene-2-sulfonyl bromide has a molecular weight of 261.55 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-sulfonyl bromide is sourced from PubChem (CID 12874990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).