cyclobutylmethanesulfonyl chloride

C5H9ClO2S — CID 55280140

IUPACcyclobutylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCC1
InChIInChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2
InChIKeyPWKSOBWFPCITKW-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.36
Rot. Bonds2

About cyclobutylmethanesulfonyl chloride

cyclobutylmethanesulfonyl chloride (PubChem CID 55280140) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is cyclobutylmethanesulfonyl chloride.

Molecular Properties

Compound Namecyclobutylmethanesulfonyl chloride
PubChem CID55280140
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Namecyclobutylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCC1
InChIInChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2
InChIKeyPWKSOBWFPCITKW-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutylmethanesulfonyl chloride?
The IUPAC name of cyclobutylmethanesulfonyl chloride (CID 55280140) is cyclobutylmethanesulfonyl chloride.
What is the SMILES notation for cyclobutylmethanesulfonyl chloride?
The canonical SMILES for cyclobutylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CCC1.
What is the InChIKey of cyclobutylmethanesulfonyl chloride?
The InChIKey is PWKSOBWFPCITKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2.
What are the key properties of cyclobutylmethanesulfonyl chloride?
cyclobutylmethanesulfonyl chloride has a molecular weight of 168.64 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 cyclobutylmethanesulfonyl chloride is sourced from PubChem (CID 55280140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).