1-benzofuran-3-sulfonyl chloride

C8H5ClO3S — CID 55279079

IUPAC1-benzofuran-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1coc2ccccc12
InChIInChI=1S/C8H5ClO3S/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKeyQYDUPXNJBYSRDL-UHFFFAOYSA-N
MW216.65 g/mol
LogP2.36
Rot. Bonds1

About 1-benzofuran-3-sulfonyl chloride

1-benzofuran-3-sulfonyl chloride (PubChem CID 55279079) has the molecular formula C8H5ClO3S and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-benzofuran-3-sulfonyl chloride.

Molecular Properties

Compound Name1-benzofuran-3-sulfonyl chloride
PubChem CID55279079
Molecular FormulaC8H5ClO3S
Molecular Weight216.65 g/mol
Exact Mass215.96
IUPAC Name1-benzofuran-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1coc2ccccc12
InChIInChI=1S/C8H5ClO3S/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKeyQYDUPXNJBYSRDL-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-sulfonyl chloride?
The IUPAC name of 1-benzofuran-3-sulfonyl chloride (CID 55279079) is 1-benzofuran-3-sulfonyl chloride.
What is the SMILES notation for 1-benzofuran-3-sulfonyl chloride?
The canonical SMILES for 1-benzofuran-3-sulfonyl chloride is O=S(=O)(Cl)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-sulfonyl chloride?
The InChIKey is QYDUPXNJBYSRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO3S/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 1-benzofuran-3-sulfonyl chloride?
1-benzofuran-3-sulfonyl chloride has a molecular weight of 216.65 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-sulfonyl chloride is sourced from PubChem (CID 55279079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).