1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole

C11H10Br2N2O2S — CID 644544

IUPAC1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2N2O2S/c1-2-11-14-5-6-15(11)18(16,17)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3
InChIKeyXFOHOQDJVYCEMY-UHFFFAOYSA-N
MW394.09 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole

1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole (PubChem CID 644544) has the molecular formula C11H10Br2N2O2S and a molecular weight of 394.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole
PubChem CID644544
Molecular FormulaC11H10Br2N2O2S
Molecular Weight394.09 g/mol
Exact Mass391.88
IUPAC Name1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2N2O2S/c1-2-11-14-5-6-15(11)18(16,17)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3
InChIKeyXFOHOQDJVYCEMY-UHFFFAOYSA-N
XLogP3.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole (CID 644544) is 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole?
The InChIKey is XFOHOQDJVYCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S/c1-2-11-14-5-6-15(11)18(16,17)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole?
1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole has a molecular weight of 394.09 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 644544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).