2-(benzenesulfonyl)oxetane

C9H10O3S — CID 102144533

IUPAC2-(benzenesulfonyl)oxetane
SMILESO=S(=O)(c1ccccc1)C1CCO1
InChIInChI=1S/C9H10O3S/c10-13(11,9-6-7-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFVLVQDRUEFEJDC-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.21
Rot. Bonds2

About 2-(benzenesulfonyl)oxetane

2-(benzenesulfonyl)oxetane (PubChem CID 102144533) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(benzenesulfonyl)oxetane.

Molecular Properties

Compound Name2-(benzenesulfonyl)oxetane
PubChem CID102144533
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-(benzenesulfonyl)oxetane
SMILESO=S(=O)(c1ccccc1)C1CCO1
InChIInChI=1S/C9H10O3S/c10-13(11,9-6-7-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFVLVQDRUEFEJDC-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)oxetane?
The IUPAC name of 2-(benzenesulfonyl)oxetane (CID 102144533) is 2-(benzenesulfonyl)oxetane.
What is the SMILES notation for 2-(benzenesulfonyl)oxetane?
The canonical SMILES for 2-(benzenesulfonyl)oxetane is O=S(=O)(c1ccccc1)C1CCO1.
What is the InChIKey of 2-(benzenesulfonyl)oxetane?
The InChIKey is FVLVQDRUEFEJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-13(11,9-6-7-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(benzenesulfonyl)oxetane?
2-(benzenesulfonyl)oxetane has a molecular weight of 198.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)oxetane is sourced from PubChem (CID 102144533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).