2-(benzenesulfonyl)oxolane

C10H12O3S — CID 10998330

IUPAC2-(benzenesulfonyl)oxolane
SMILESO=S(=O)(c1ccccc1)C1CCCO1
InChIInChI=1S/C10H12O3S/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyGWLAITQPVMLMTF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(benzenesulfonyl)oxolane

2-(benzenesulfonyl)oxolane (PubChem CID 10998330) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(benzenesulfonyl)oxolane.

Molecular Properties

Compound Name2-(benzenesulfonyl)oxolane
PubChem CID10998330
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(benzenesulfonyl)oxolane
SMILESO=S(=O)(c1ccccc1)C1CCCO1
InChIInChI=1S/C10H12O3S/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyGWLAITQPVMLMTF-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)oxolane?
The IUPAC name of 2-(benzenesulfonyl)oxolane (CID 10998330) is 2-(benzenesulfonyl)oxolane.
What is the SMILES notation for 2-(benzenesulfonyl)oxolane?
The canonical SMILES for 2-(benzenesulfonyl)oxolane is O=S(=O)(c1ccccc1)C1CCCO1.
What is the InChIKey of 2-(benzenesulfonyl)oxolane?
The InChIKey is GWLAITQPVMLMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 2-(benzenesulfonyl)oxolane?
2-(benzenesulfonyl)oxolane has a molecular weight of 212.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)oxolane is sourced from PubChem (CID 10998330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).