2-naphthalen-2-ylsulfonyloxirane

C12H10O3S — CID 71659908

IUPAC2-naphthalen-2-ylsulfonyloxirane
SMILESO=S(=O)(c1ccc2ccccc2c1)C1CO1
InChIInChI=1S/C12H10O3S/c13-16(14,12-8-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2
InChIKeyNAYWKENGILDNTR-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.97
Rot. Bonds2

About 2-naphthalen-2-ylsulfonyloxirane

2-naphthalen-2-ylsulfonyloxirane (PubChem CID 71659908) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyloxirane.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyloxirane
PubChem CID71659908
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-naphthalen-2-ylsulfonyloxirane
SMILESO=S(=O)(c1ccc2ccccc2c1)C1CO1
InChIInChI=1S/C12H10O3S/c13-16(14,12-8-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2
InChIKeyNAYWKENGILDNTR-UHFFFAOYSA-N
XLogP1.97
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonyloxirane?
The IUPAC name of 2-naphthalen-2-ylsulfonyloxirane (CID 71659908) is 2-naphthalen-2-ylsulfonyloxirane.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyloxirane?
The canonical SMILES for 2-naphthalen-2-ylsulfonyloxirane is O=S(=O)(c1ccc2ccccc2c1)C1CO1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyloxirane?
The InChIKey is NAYWKENGILDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-16(14,12-8-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2.
What are the key properties of 2-naphthalen-2-ylsulfonyloxirane?
2-naphthalen-2-ylsulfonyloxirane has a molecular weight of 234.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyloxirane is sourced from PubChem (CID 71659908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).