4-bromothiophene-2-sulfonyl fluoride

C4H2BrFO2S2 — CID 82294546

IUPAC4-bromothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Br)cs1
InChIInChI=1S/C4H2BrFO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKeyYBBISHJKDPHLQH-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.17
Rot. Bonds1

About 4-bromothiophene-2-sulfonyl fluoride

4-bromothiophene-2-sulfonyl fluoride (PubChem CID 82294546) has the molecular formula C4H2BrFO2S2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-bromothiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name4-bromothiophene-2-sulfonyl fluoride
PubChem CID82294546
Molecular FormulaC4H2BrFO2S2
Molecular Weight245.09 g/mol
Exact Mass243.87
IUPAC Name4-bromothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Br)cs1
InChIInChI=1S/C4H2BrFO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKeyYBBISHJKDPHLQH-UHFFFAOYSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.17
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 fluoride?
The IUPAC name of 4-bromothiophene-2-sulfonyl fluoride (CID 82294546) is 4-bromothiophene-2-sulfonyl fluoride.
What is the SMILES notation for 4-bromothiophene-2-sulfonyl fluoride?
The canonical SMILES for 4-bromothiophene-2-sulfonyl fluoride is O=S(=O)(F)c1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-sulfonyl fluoride?
The InChIKey is YBBISHJKDPHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrFO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H.
What are the key properties of 4-bromothiophene-2-sulfonyl fluoride?
4-bromothiophene-2-sulfonyl fluoride has a molecular weight of 245.09 g/mol, XLogP of 2.17, 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 fluoride is sourced from PubChem (CID 82294546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).