oxane-3-sulfonyl chloride

C5H9ClO3S — CID 53484596

IUPACoxane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCOC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2
InChIKeyREOZIFJRADCIGH-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.73
Rot. Bonds1

About oxane-3-sulfonyl chloride

oxane-3-sulfonyl chloride (PubChem CID 53484596) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is oxane-3-sulfonyl chloride.

Molecular Properties

Compound Nameoxane-3-sulfonyl chloride
PubChem CID53484596
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Nameoxane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCOC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2
InChIKeyREOZIFJRADCIGH-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-3-sulfonyl chloride?
The IUPAC name of oxane-3-sulfonyl chloride (CID 53484596) is oxane-3-sulfonyl chloride.
What is the SMILES notation for oxane-3-sulfonyl chloride?
The canonical SMILES for oxane-3-sulfonyl chloride is O=S(=O)(Cl)C1CCCOC1.
What is the InChIKey of oxane-3-sulfonyl chloride?
The InChIKey is REOZIFJRADCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2.
What are the key properties of oxane-3-sulfonyl chloride?
oxane-3-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-3-sulfonyl chloride is sourced from PubChem (CID 53484596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).