1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole

C11H11BrN2O2S — CID 846896

IUPAC1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2)c(C)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-6-11(9(2)5-10(8)12)17(15,16)14-4-3-13-7-14/h3-7H,1-2H3
InChIKeyGMCBLWVKCVZMPG-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole

1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole (PubChem CID 846896) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
PubChem CID846896
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2)c(C)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-8-6-11(9(2)5-10(8)12)17(15,16)14-4-3-13-7-14/h3-7H,1-2H3
InChIKeyGMCBLWVKCVZMPG-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole (CID 846896) is 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole is Cc1cc(S(=O)(=O)n2ccnc2)c(C)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole?
The InChIKey is GMCBLWVKCVZMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-6-11(9(2)5-10(8)12)17(15,16)14-4-3-13-7-14/h3-7H,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole?
1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole has a molecular weight of 315.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole is sourced from PubChem (CID 846896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).