1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole

C12H13BrN2O2S — CID 14074992

IUPAC1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H13BrN2O2S/c1-3-12-14-6-7-15(12)18(16,17)11-8-10(13)5-4-9(11)2/h4-8H,3H2,1-2H3
InChIKeyIGEUMLXDHWJCJP-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.75
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole

1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole (PubChem CID 14074992) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole
PubChem CID14074992
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H13BrN2O2S/c1-3-12-14-6-7-15(12)18(16,17)11-8-10(13)5-4-9(11)2/h4-8H,3H2,1-2H3
InChIKeyIGEUMLXDHWJCJP-UHFFFAOYSA-N
XLogP2.75
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
1-(5-bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 762298
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
CID 61215707
1-(3-bromophenyl)sulfonyl-2-methylimidazole
CID 59803458
6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61215839
1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
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CID 115650834

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole (CID 14074992) is 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is IGEUMLXDHWJCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-3-12-14-6-7-15(12)18(16,17)11-8-10(13)5-4-9(11)2/h4-8H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole?
1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 329.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 14074992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).