3-oxocyclobutane-1-sulfonyl chloride

C4H5ClO3S — CID 131558939

IUPAC3-oxocyclobutane-1-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H5ClO3S/c5-9(7,8)4-1-3(6)2-4/h4H,1-2H2
InChIKeyIESMLAKNDITUGX-UHFFFAOYSA-N
MW168.60 g/mol
LogP0.29
Rot. Bonds1

About 3-oxocyclobutane-1-sulfonyl chloride

3-oxocyclobutane-1-sulfonyl chloride (PubChem CID 131558939) has the molecular formula C4H5ClO3S and a molecular weight of 168.60 g/mol. Its IUPAC name is 3-oxocyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-oxocyclobutane-1-sulfonyl chloride
PubChem CID131558939
Molecular FormulaC4H5ClO3S
Molecular Weight168.60 g/mol
Exact Mass167.96
IUPAC Name3-oxocyclobutane-1-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H5ClO3S/c5-9(7,8)4-1-3(6)2-4/h4H,1-2H2
InChIKeyIESMLAKNDITUGX-UHFFFAOYSA-N
XLogP0.29
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-oxocyclobutane-1-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

bicyclo[3.1.0]hexane-3-sulfonyl chloride
CID 131288995
2-chlorocyclopropan-1-one
CID 18624464
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712029
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712043
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712655
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710836

Frequently Asked Questions

What is the IUPAC name of 3-oxocyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-oxocyclobutane-1-sulfonyl chloride (CID 131558939) is 3-oxocyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-oxocyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-oxocyclobutane-1-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-oxocyclobutane-1-sulfonyl chloride?
The InChIKey is IESMLAKNDITUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3S/c5-9(7,8)4-1-3(6)2-4/h4H,1-2H2.
What are the key properties of 3-oxocyclobutane-1-sulfonyl chloride?
3-oxocyclobutane-1-sulfonyl chloride has a molecular weight of 168.60 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxocyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 131558939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).