3-naphthalen-2-ylsulfonyloxolan-2-one

C14H12O4S — CID 667162

IUPAC3-naphthalen-2-ylsulfonyloxolan-2-one
SMILESO=C1OCCC1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O4S/c15-14-13(7-8-18-14)19(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
InChIKeyQNFUQOMFJUBWIM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.93
Rot. Bonds2

About 3-naphthalen-2-ylsulfonyloxolan-2-one

3-naphthalen-2-ylsulfonyloxolan-2-one (PubChem CID 667162) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonyloxolan-2-one.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonyloxolan-2-one
PubChem CID667162
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name3-naphthalen-2-ylsulfonyloxolan-2-one
SMILESO=C1OCCC1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O4S/c15-14-13(7-8-18-14)19(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
InChIKeyQNFUQOMFJUBWIM-UHFFFAOYSA-N
XLogP1.93
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonyloxolan-2-one?
The IUPAC name of 3-naphthalen-2-ylsulfonyloxolan-2-one (CID 667162) is 3-naphthalen-2-ylsulfonyloxolan-2-one.
What is the SMILES notation for 3-naphthalen-2-ylsulfonyloxolan-2-one?
The canonical SMILES for 3-naphthalen-2-ylsulfonyloxolan-2-one is O=C1OCCC1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylsulfonyloxolan-2-one?
The InChIKey is QNFUQOMFJUBWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c15-14-13(7-8-18-14)19(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2.
What are the key properties of 3-naphthalen-2-ylsulfonyloxolan-2-one?
3-naphthalen-2-ylsulfonyloxolan-2-one has a molecular weight of 276.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfonyloxolan-2-one is sourced from PubChem (CID 667162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).