oxane-4-sulfonyl chloride

C5H9ClO3S — CID 22637030

IUPACoxane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCOCC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKeyQQSBPTQNEOJFBO-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.73
Rot. Bonds1

About oxane-4-sulfonyl chloride

oxane-4-sulfonyl chloride (PubChem CID 22637030) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is oxane-4-sulfonyl chloride.

Molecular Properties

Compound Nameoxane-4-sulfonyl chloride
PubChem CID22637030
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Nameoxane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCOCC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKeyQQSBPTQNEOJFBO-UHFFFAOYSA-N
XLogP0.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 oxane-4-sulfonyl chloride?
The IUPAC name of oxane-4-sulfonyl chloride (CID 22637030) is oxane-4-sulfonyl chloride.
What is the SMILES notation for oxane-4-sulfonyl chloride?
The canonical SMILES for oxane-4-sulfonyl chloride is O=S(=O)(Cl)C1CCOCC1.
What is the InChIKey of oxane-4-sulfonyl chloride?
The InChIKey is QQSBPTQNEOJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2.
What are the key properties of oxane-4-sulfonyl chloride?
oxane-4-sulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-sulfonyl chloride is sourced from PubChem (CID 22637030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).