2-ethyl-1-naphthalen-2-ylsulfonylimidazole

C15H14N2O2S — CID 794374

IUPAC2-ethyl-1-naphthalen-2-ylsulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O2S/c1-2-15-16-9-10-17(15)20(18,19)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3
InChIKeyOIGDDPHJMWHAFW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.84
Rot. Bonds3

About 2-ethyl-1-naphthalen-2-ylsulfonylimidazole

2-ethyl-1-naphthalen-2-ylsulfonylimidazole (PubChem CID 794374) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-ethyl-1-naphthalen-2-ylsulfonylimidazole.

Molecular Properties

Compound Name2-ethyl-1-naphthalen-2-ylsulfonylimidazole
PubChem CID794374
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-ethyl-1-naphthalen-2-ylsulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O2S/c1-2-15-16-9-10-17(15)20(18,19)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3
InChIKeyOIGDDPHJMWHAFW-UHFFFAOYSA-N
XLogP2.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-naphthalen-2-ylsulfonylimidazole?
The IUPAC name of 2-ethyl-1-naphthalen-2-ylsulfonylimidazole (CID 794374) is 2-ethyl-1-naphthalen-2-ylsulfonylimidazole.
What is the SMILES notation for 2-ethyl-1-naphthalen-2-ylsulfonylimidazole?
The canonical SMILES for 2-ethyl-1-naphthalen-2-ylsulfonylimidazole is CCc1nccn1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethyl-1-naphthalen-2-ylsulfonylimidazole?
The InChIKey is OIGDDPHJMWHAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-15-16-9-10-17(15)20(18,19)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-1-naphthalen-2-ylsulfonylimidazole?
2-ethyl-1-naphthalen-2-ylsulfonylimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-naphthalen-2-ylsulfonylimidazole is sourced from PubChem (CID 794374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).