2-methoxyethanesulfonyl chloride

C3H7ClO3S — CID 13480221

IUPAC2-methoxyethanesulfonyl chloride
SMILESCOCCS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3
InChIKeyDUNNNVSEUCJEOY-UHFFFAOYSA-N
MW158.61 g/mol
LogP0.20
Rot. Bonds3

About 2-methoxyethanesulfonyl chloride

2-methoxyethanesulfonyl chloride (PubChem CID 13480221) has the molecular formula C3H7ClO3S and a molecular weight of 158.61 g/mol. Its IUPAC name is 2-methoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-methoxyethanesulfonyl chloride
PubChem CID13480221
Molecular FormulaC3H7ClO3S
Molecular Weight158.61 g/mol
Exact Mass157.98
IUPAC Name2-methoxyethanesulfonyl chloride
SMILESCOCCS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3
InChIKeyDUNNNVSEUCJEOY-UHFFFAOYSA-N
XLogP0.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxyethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chlorosulfonylethyl acetate
CID 13139000
3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
CID 112594673
2-methoxyethanesulfonamide;hydrofluoride
CID 18951505
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
2-(2-ethylbutoxy)ethanesulfonyl chloride
CID 165490074
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
CID 153470172
2-methoxy-N-methylethanesulfonamide;molecular hydrogen
CID 176928955
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
1,2-dimethoxyethane;tetrachlorohafnium
CID 87899976
1,3-dimethoxypropane-2-sulfonyl chloride
CID 122163174

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanesulfonyl chloride?
The IUPAC name of 2-methoxyethanesulfonyl chloride (CID 13480221) is 2-methoxyethanesulfonyl chloride.
What is the SMILES notation for 2-methoxyethanesulfonyl chloride?
The canonical SMILES for 2-methoxyethanesulfonyl chloride is COCCS(=O)(=O)Cl.
What is the InChIKey of 2-methoxyethanesulfonyl chloride?
The InChIKey is DUNNNVSEUCJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3.
What are the key properties of 2-methoxyethanesulfonyl chloride?
2-methoxyethanesulfonyl chloride has a molecular weight of 158.61 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanesulfonyl chloride is sourced from PubChem (CID 13480221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).