2-ethoxyethanesulfonyl chloride

C4H9ClO3S — CID 22491139

IUPAC2-ethoxyethanesulfonyl chloride
SMILESCCOCCS(=O)(=O)Cl
InChIInChI=1S/C4H9ClO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKeyUIZKSVKQIJNZNF-UHFFFAOYSA-N
MW172.63 g/mol
LogP0.59
Rot. Bonds4

About 2-ethoxyethanesulfonyl chloride

2-ethoxyethanesulfonyl chloride (PubChem CID 22491139) has the molecular formula C4H9ClO3S and a molecular weight of 172.63 g/mol. Its IUPAC name is 2-ethoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-ethoxyethanesulfonyl chloride
PubChem CID22491139
Molecular FormulaC4H9ClO3S
Molecular Weight172.63 g/mol
Exact Mass172.00
IUPAC Name2-ethoxyethanesulfonyl chloride
SMILESCCOCCS(=O)(=O)Cl
InChIInChI=1S/C4H9ClO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKeyUIZKSVKQIJNZNF-UHFFFAOYSA-N
XLogP0.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanesulfonyl chloride?
The IUPAC name of 2-ethoxyethanesulfonyl chloride (CID 22491139) is 2-ethoxyethanesulfonyl chloride.
What is the SMILES notation for 2-ethoxyethanesulfonyl chloride?
The canonical SMILES for 2-ethoxyethanesulfonyl chloride is CCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-ethoxyethanesulfonyl chloride?
The InChIKey is UIZKSVKQIJNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3.
What are the key properties of 2-ethoxyethanesulfonyl chloride?
2-ethoxyethanesulfonyl chloride has a molecular weight of 172.63 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanesulfonyl chloride is sourced from PubChem (CID 22491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).