1-benzofuran-2-sulfonyl chloride

C8H5ClO3S — CID 2795172

IUPAC1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2o1
InChIInChI=1S/C8H5ClO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyRWCKBBSBRTUUHR-UHFFFAOYSA-N
MW216.65 g/mol
LogP2.36
Rot. Bonds1

About 1-benzofuran-2-sulfonyl chloride

1-benzofuran-2-sulfonyl chloride (PubChem CID 2795172) has the molecular formula C8H5ClO3S and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name1-benzofuran-2-sulfonyl chloride
PubChem CID2795172
Molecular FormulaC8H5ClO3S
Molecular Weight216.65 g/mol
Exact Mass215.96
IUPAC Name1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2o1
InChIInChI=1S/C8H5ClO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyRWCKBBSBRTUUHR-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-2-sulfonyl chloride?
The IUPAC name of 1-benzofuran-2-sulfonyl chloride (CID 2795172) is 1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-sulfonyl chloride?
The InChIKey is RWCKBBSBRTUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H.
What are the key properties of 1-benzofuran-2-sulfonyl chloride?
1-benzofuran-2-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-2-sulfonyl chloride is sourced from PubChem (CID 2795172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).