2-(2-chloroethoxy)ethanesulfonyl chloride

C4H8Cl2O3S — CID 55280305

IUPAC2-(2-chloroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCCCl
InChIInChI=1S/C4H8Cl2O3S/c5-1-2-9-3-4-10(6,7)8/h1-4H2
InChIKeyGDNGSUYNGBVHRP-UHFFFAOYSA-N
MW207.08 g/mol
LogP0.81
Rot. Bonds5

About 2-(2-chloroethoxy)ethanesulfonyl chloride

2-(2-chloroethoxy)ethanesulfonyl chloride (PubChem CID 55280305) has the molecular formula C4H8Cl2O3S and a molecular weight of 207.08 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethanesulfonyl chloride
PubChem CID55280305
Molecular FormulaC4H8Cl2O3S
Molecular Weight207.08 g/mol
Exact Mass205.96
IUPAC Name2-(2-chloroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCCCl
InChIInChI=1S/C4H8Cl2O3S/c5-1-2-9-3-4-10(6,7)8/h1-4H2
InChIKeyGDNGSUYNGBVHRP-UHFFFAOYSA-N
XLogP0.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2-chloroethoxy)ethanesulfonyl chloride (CID 55280305) is 2-(2-chloroethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-chloroethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-chloroethoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethanesulfonyl chloride?
The InChIKey is GDNGSUYNGBVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O3S/c5-1-2-9-3-4-10(6,7)8/h1-4H2.
What are the key properties of 2-(2-chloroethoxy)ethanesulfonyl chloride?
2-(2-chloroethoxy)ethanesulfonyl chloride has a molecular weight of 207.08 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 55280305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).