5-fluoro-1-benzofuran-2-sulfonyl chloride

C8H4ClFO3S — CID 83896263

IUPAC5-fluoro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cc(F)ccc2o1
InChIInChI=1S/C8H4ClFO3S/c9-14(11,12)8-4-5-3-6(10)1-2-7(5)13-8/h1-4H
InChIKeyDXAKWTAOEKKQKO-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.50
Rot. Bonds1

About 5-fluoro-1-benzofuran-2-sulfonyl chloride

5-fluoro-1-benzofuran-2-sulfonyl chloride (PubChem CID 83896263) has the molecular formula C8H4ClFO3S and a molecular weight of 234.64 g/mol. Its IUPAC name is 5-fluoro-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-benzofuran-2-sulfonyl chloride
PubChem CID83896263
Molecular FormulaC8H4ClFO3S
Molecular Weight234.64 g/mol
Exact Mass233.96
IUPAC Name5-fluoro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cc(F)ccc2o1
InChIInChI=1S/C8H4ClFO3S/c9-14(11,12)8-4-5-3-6(10)1-2-7(5)13-8/h1-4H
InChIKeyDXAKWTAOEKKQKO-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-benzofuran-2-sulfonyl chloride (CID 83896263) is 5-fluoro-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-1-benzofuran-2-sulfonyl chloride?
The InChIKey is DXAKWTAOEKKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFO3S/c9-14(11,12)8-4-5-3-6(10)1-2-7(5)13-8/h1-4H.
What are the key properties of 5-fluoro-1-benzofuran-2-sulfonyl chloride?
5-fluoro-1-benzofuran-2-sulfonyl chloride has a molecular weight of 234.64 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 83896263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).