2-(benzenesulfonyl)oxane

C11H14O3S — CID 3707989

IUPAC2-(benzenesulfonyl)oxane
SMILESO=S(=O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C11H14O3S/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyZWVRLRYLOVJRIO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(benzenesulfonyl)oxane

2-(benzenesulfonyl)oxane (PubChem CID 3707989) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(benzenesulfonyl)oxane.

Molecular Properties

Compound Name2-(benzenesulfonyl)oxane
PubChem CID3707989
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-(benzenesulfonyl)oxane
SMILESO=S(=O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C11H14O3S/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyZWVRLRYLOVJRIO-UHFFFAOYSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)oxane?
The IUPAC name of 2-(benzenesulfonyl)oxane (CID 3707989) is 2-(benzenesulfonyl)oxane.
What is the SMILES notation for 2-(benzenesulfonyl)oxane?
The canonical SMILES for 2-(benzenesulfonyl)oxane is O=S(=O)(c1ccccc1)C1CCCCO1.
What is the InChIKey of 2-(benzenesulfonyl)oxane?
The InChIKey is ZWVRLRYLOVJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-15(13,10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 2-(benzenesulfonyl)oxane?
2-(benzenesulfonyl)oxane has a molecular weight of 226.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)oxane is sourced from PubChem (CID 3707989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).