2-(2-methoxyethoxy)ethanesulfonyl chloride

C5H11ClO4S — CID 52983809

IUPAC2-(2-methoxyethoxy)ethanesulfonyl chloride
SMILESCOCCOCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3
InChIKeyKOZZDLZQMLPWDR-UHFFFAOYSA-N
MW202.66 g/mol
LogP0.22
Rot. Bonds6

About 2-(2-methoxyethoxy)ethanesulfonyl chloride

2-(2-methoxyethoxy)ethanesulfonyl chloride (PubChem CID 52983809) has the molecular formula C5H11ClO4S and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethanesulfonyl chloride
PubChem CID52983809
Molecular FormulaC5H11ClO4S
Molecular Weight202.66 g/mol
Exact Mass202.01
IUPAC Name2-(2-methoxyethoxy)ethanesulfonyl chloride
SMILESCOCCOCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3
InChIKeyKOZZDLZQMLPWDR-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2-methoxyethoxy)ethanesulfonyl chloride (CID 52983809) is 2-(2-methoxyethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-methoxyethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-methoxyethoxy)ethanesulfonyl chloride is COCCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxyethoxy)ethanesulfonyl chloride?
The InChIKey is KOZZDLZQMLPWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethanesulfonyl chloride?
2-(2-methoxyethoxy)ethanesulfonyl chloride has a molecular weight of 202.66 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 52983809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).