2,2-dichloroethanesulfonyl chloride

C2H3Cl3O2S — CID 21400635

IUPAC2,2-dichloroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)Cl
InChIInChI=1S/C2H3Cl3O2S/c3-2(4)1-8(5,6)7/h2H,1H2
InChIKeyUVICMZODFXVSDD-UHFFFAOYSA-N
MW197.47 g/mol
LogP1.36
Rot. Bonds2

About 2,2-dichloroethanesulfonyl chloride

2,2-dichloroethanesulfonyl chloride (PubChem CID 21400635) has the molecular formula C2H3Cl3O2S and a molecular weight of 197.47 g/mol. Its IUPAC name is 2,2-dichloroethanesulfonyl chloride.

Molecular Properties

Compound Name2,2-dichloroethanesulfonyl chloride
PubChem CID21400635
Molecular FormulaC2H3Cl3O2S
Molecular Weight197.47 g/mol
Exact Mass195.89
IUPAC Name2,2-dichloroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)Cl
InChIInChI=1S/C2H3Cl3O2S/c3-2(4)1-8(5,6)7/h2H,1H2
InChIKeyUVICMZODFXVSDD-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethanesulfonyl chloride?
The IUPAC name of 2,2-dichloroethanesulfonyl chloride (CID 21400635) is 2,2-dichloroethanesulfonyl chloride.
What is the SMILES notation for 2,2-dichloroethanesulfonyl chloride?
The canonical SMILES for 2,2-dichloroethanesulfonyl chloride is O=S(=O)(Cl)CC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethanesulfonyl chloride?
The InChIKey is UVICMZODFXVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O2S/c3-2(4)1-8(5,6)7/h2H,1H2.
What are the key properties of 2,2-dichloroethanesulfonyl chloride?
2,2-dichloroethanesulfonyl chloride has a molecular weight of 197.47 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethanesulfonyl chloride is sourced from PubChem (CID 21400635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).