2-chlorooxane-2-sulfonyl chloride

C5H8Cl2O3S — CID 174974036

IUPAC2-chlorooxane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(Cl)CCCCO1
InChIInChI=1S/C5H8Cl2O3S/c6-5(11(7,8)9)3-1-2-4-10-5/h1-4H2
InChIKeyMYQXDBFZMAAWJJ-UHFFFAOYSA-N
MW219.09 g/mol
LogP1.65
Rot. Bonds1

About 2-chlorooxane-2-sulfonyl chloride

2-chlorooxane-2-sulfonyl chloride (PubChem CID 174974036) has the molecular formula C5H8Cl2O3S and a molecular weight of 219.09 g/mol. Its IUPAC name is 2-chlorooxane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-chlorooxane-2-sulfonyl chloride
PubChem CID174974036
Molecular FormulaC5H8Cl2O3S
Molecular Weight219.09 g/mol
Exact Mass217.96
IUPAC Name2-chlorooxane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(Cl)CCCCO1
InChIInChI=1S/C5H8Cl2O3S/c6-5(11(7,8)9)3-1-2-4-10-5/h1-4H2
InChIKeyMYQXDBFZMAAWJJ-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chlorooxane-2-sulfonyl 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-chlorooxan-2-yl)silane
CID 123341870
5-oxaspiro[3.5]nonan-2-one
CID 171035049
cyclopentane;sulfuryl dichloride
CID 87352462
7-oxaspiro[5.13]nonadecane-19-sulfonic acid
CID 59513274
4,9-dioxaspiro[2.6]nonane
CID 68651979
8-oxa-1,2-dithiaspiro[2.5]octane
CID 142744258
hydron;(2-silyloxan-2-yl)silane
CID 174620661
cyclopropane;sulfamoyl chloride
CID 175330408
1,1-dichlorocyclooctane
CID 13066177
1,4-dioxane;methanesulfonyl chloride
CID 161081111
1-cycloheptylcyclopropane-1-sulfonyl chloride
CID 165490522
2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate
CID 175224190

Frequently Asked Questions

What is the IUPAC name of 2-chlorooxane-2-sulfonyl chloride?
The IUPAC name of 2-chlorooxane-2-sulfonyl chloride (CID 174974036) is 2-chlorooxane-2-sulfonyl chloride.
What is the SMILES notation for 2-chlorooxane-2-sulfonyl chloride?
The canonical SMILES for 2-chlorooxane-2-sulfonyl chloride is O=S(=O)(Cl)C1(Cl)CCCCO1.
What is the InChIKey of 2-chlorooxane-2-sulfonyl chloride?
The InChIKey is MYQXDBFZMAAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O3S/c6-5(11(7,8)9)3-1-2-4-10-5/h1-4H2.
What are the key properties of 2-chlorooxane-2-sulfonyl chloride?
2-chlorooxane-2-sulfonyl chloride has a molecular weight of 219.09 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxane-2-sulfonyl chloride is sourced from PubChem (CID 174974036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).