4-chloro-1-benzofuran-2-sulfonyl chloride

C8H4Cl2O3S — CID 83900452

IUPAC4-chloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C8H4Cl2O3S/c9-6-2-1-3-7-5(6)4-8(13-7)14(10,11)12/h1-4H
InChIKeyFYFODLOSPGEPQH-UHFFFAOYSA-N
MW251.09 g/mol
LogP3.01
Rot. Bonds1

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

4-chloro-1-benzofuran-2-sulfonyl chloride (PubChem CID 83900452) has the molecular formula C8H4Cl2O3S and a molecular weight of 251.09 g/mol. Its IUPAC name is 4-chloro-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-1-benzofuran-2-sulfonyl chloride
PubChem CID83900452
Molecular FormulaC8H4Cl2O3S
Molecular Weight251.09 g/mol
Exact Mass249.93
IUPAC Name4-chloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C8H4Cl2O3S/c9-6-2-1-3-7-5(6)4-8(13-7)14(10,11)12/h1-4H
InChIKeyFYFODLOSPGEPQH-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 4-chloro-1-benzofuran-2-sulfonyl chloride (CID 83900452) is 4-chloro-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 4-chloro-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 4-chloro-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2c(Cl)cccc2o1.
What is the InChIKey of 4-chloro-1-benzofuran-2-sulfonyl chloride?
The InChIKey is FYFODLOSPGEPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O3S/c9-6-2-1-3-7-5(6)4-8(13-7)14(10,11)12/h1-4H.
What are the key properties of 4-chloro-1-benzofuran-2-sulfonyl chloride?
4-chloro-1-benzofuran-2-sulfonyl chloride has a molecular weight of 251.09 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 83900452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).