4-hydroxy-1-benzofuran-2-sulfonyl chloride

C8H5ClO4S — CID 83895345

IUPAC4-hydroxy-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(O)cccc2o1
InChIInChI=1S/C8H5ClO4S/c9-14(11,12)8-4-5-6(10)2-1-3-7(5)13-8/h1-4,10H
InChIKeyJPFJCJHUWUBPBD-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.07
Rot. Bonds1

About 4-hydroxy-1-benzofuran-2-sulfonyl chloride

4-hydroxy-1-benzofuran-2-sulfonyl chloride (PubChem CID 83895345) has the molecular formula C8H5ClO4S and a molecular weight of 232.64 g/mol. Its IUPAC name is 4-hydroxy-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-1-benzofuran-2-sulfonyl chloride
PubChem CID83895345
Molecular FormulaC8H5ClO4S
Molecular Weight232.64 g/mol
Exact Mass231.96
IUPAC Name4-hydroxy-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(O)cccc2o1
InChIInChI=1S/C8H5ClO4S/c9-14(11,12)8-4-5-6(10)2-1-3-7(5)13-8/h1-4,10H
InChIKeyJPFJCJHUWUBPBD-UHFFFAOYSA-N
XLogP2.07
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 4-hydroxy-1-benzofuran-2-sulfonyl chloride (CID 83895345) is 4-hydroxy-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 4-hydroxy-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 4-hydroxy-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2c(O)cccc2o1.
What is the InChIKey of 4-hydroxy-1-benzofuran-2-sulfonyl chloride?
The InChIKey is JPFJCJHUWUBPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO4S/c9-14(11,12)8-4-5-6(10)2-1-3-7(5)13-8/h1-4,10H.
What are the key properties of 4-hydroxy-1-benzofuran-2-sulfonyl chloride?
4-hydroxy-1-benzofuran-2-sulfonyl chloride has a molecular weight of 232.64 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 83895345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).