oxolan-2-ylmethanesulfonyl chloride

C5H9ClO3S — CID 22636887

IUPACoxolan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCO1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyOTZGHNVMPIKAEL-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.73
Rot. Bonds2

About oxolan-2-ylmethanesulfonyl chloride

oxolan-2-ylmethanesulfonyl chloride (PubChem CID 22636887) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is oxolan-2-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameoxolan-2-ylmethanesulfonyl chloride
PubChem CID22636887
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Nameoxolan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCO1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyOTZGHNVMPIKAEL-UHFFFAOYSA-N
XLogP0.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethanesulfonyl chloride?
The IUPAC name of oxolan-2-ylmethanesulfonyl chloride (CID 22636887) is oxolan-2-ylmethanesulfonyl chloride.
What is the SMILES notation for oxolan-2-ylmethanesulfonyl chloride?
The canonical SMILES for oxolan-2-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CCCO1.
What is the InChIKey of oxolan-2-ylmethanesulfonyl chloride?
The InChIKey is OTZGHNVMPIKAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2.
What are the key properties of oxolan-2-ylmethanesulfonyl chloride?
oxolan-2-ylmethanesulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethanesulfonyl chloride is sourced from PubChem (CID 22636887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).