2-chloroethanesulfonyl chloride

C2H4Cl2O2S — CID 15385

IUPAC2-chloroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCCl
InChIInChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
InChIKeyVHCSBTPOPKFYIU-UHFFFAOYSA-N
MW163.02 g/mol
LogP0.79
Rot. Bonds2

About 2-chloroethanesulfonyl chloride

2-chloroethanesulfonyl chloride (PubChem CID 15385) has the molecular formula C2H4Cl2O2S and a molecular weight of 163.02 g/mol. Its IUPAC name is 2-chloroethanesulfonyl chloride.

Molecular Properties

Compound Name2-chloroethanesulfonyl chloride
PubChem CID15385
Molecular FormulaC2H4Cl2O2S
Molecular Weight163.02 g/mol
Exact Mass161.93
IUPAC Name2-chloroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCCl
InChIInChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
InChIKeyVHCSBTPOPKFYIU-UHFFFAOYSA-N
XLogP0.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.02
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroethanesulphonic acid
CID 28865
3-Chloropropanesulphonyl chloride
CID 15410
Ethanesulfonic acid, 2-chloro-, sodium salt (1:1)
CID 23672303
2-Chloroethanesulfonate;hydrate
CID 22366956
Ethanesulfonyl fluoride, 2-chloro-
CID 69807
Alpha-chloroethane sulfonic acid
CID 517178
1-Chloroethane-1-sulfonyl chloride
CID 12495224
Sodium 2-chloroethane-1-sulfinate
CID 44891173
2-Chloroethanesulfinic chloride
CID 12550052
2,3-Dichloropropane-1-sulfonyl chloride
CID 12589227
1,2-Dichloroethane-1-sulfonyl chloride
CID 18446999
1,3-Dichloropropane-2-sulfonyl chloride
CID 55280261

Frequently Asked Questions

What is the IUPAC name of 2-chloroethanesulfonyl chloride?
The IUPAC name of 2-chloroethanesulfonyl chloride (CID 15385) is 2-chloroethanesulfonyl chloride.
What is the SMILES notation for 2-chloroethanesulfonyl chloride?
The canonical SMILES for 2-chloroethanesulfonyl chloride is O=S(=O)(Cl)CCCl.
What is the InChIKey of 2-chloroethanesulfonyl chloride?
The InChIKey is VHCSBTPOPKFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2.
What are the key properties of 2-chloroethanesulfonyl chloride?
2-chloroethanesulfonyl chloride has a molecular weight of 163.02 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanesulfonyl chloride is sourced from PubChem (CID 15385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).