2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole

C16H16N2O2S — CID 647161

IUPAC2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-3-16-17-8-9-18(16)21(19,20)15-7-6-13-5-4-12(2)10-14(13)11-15/h4-11H,3H2,1-2H3
InChIKeyRJINJJTXFOGBME-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.14
Rot. Bonds3

About 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole

2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole (PubChem CID 647161) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole
PubChem CID647161
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-3-16-17-8-9-18(16)21(19,20)15-7-6-13-5-4-12(2)10-14(13)11-15/h4-11H,3H2,1-2H3
InChIKeyRJINJJTXFOGBME-UHFFFAOYSA-N
XLogP3.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3,4-Dimethylbenzenesulfonyl)-2-ethyl-1H-imidazole
CID 645505
1-[(3,4-dimethylphenyl)sulfonyl]-1H-imidazole
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2-Ethyl-1-(2-naphthylsulfonyl)imidazole
CID 794374
N-(3-(1H-Imidazol-1-yl)propyl)naphthalene-2-sulfonamide
CID 3110416
1-(2-Naphthylsulfonyl)-1H-imidazole
CID 581487
1-(2-Methylsulfonyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride
CID 12698980
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide
CID 42957470
2-Methyl-1-{[2,4,6-tris(methylethyl)phenyl]sulfonyl}imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole?
The IUPAC name of 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole (CID 647161) is 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole.
What is the SMILES notation for 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole?
The canonical SMILES for 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole is CCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1.
What is the InChIKey of 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole?
The InChIKey is RJINJJTXFOGBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-16-17-8-9-18(16)21(19,20)15-7-6-13-5-4-12(2)10-14(13)11-15/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole?
2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(7-methylnaphthalen-2-yl)sulfonylimidazole is sourced from PubChem (CID 647161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).