1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole

C12H13BrN2O2S — CID 775784

IUPAC1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-3-12-14-9(2)8-15(12)18(16,17)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyAOUROJDYTZRCLM-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole

1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole (PubChem CID 775784) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole
PubChem CID775784
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-3-12-14-9(2)8-15(12)18(16,17)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyAOUROJDYTZRCLM-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

1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole
CID 700899
1-(2,4-Dibromophenyl)sulfonyl-2-ethylimidazole
CID 644544
[(4-Bromophenyl)sulfonyl](2-imidazol-4-ylethyl)amine
CID 4661684
4-Bromo-2-methyl-1-[(2-methylimidazolyl)sulfonyl]benzene
CID 748169
1-[(2,4-dibromophenyl)sulfonyl]-2-methyl-1H-imidazole
CID 403082
1-(2,5-dibromobenzenesulfonyl)-4-methyl-1H-imidazole
CID 1076568
1-[(2,5-dibromophenyl)sulfonyl]-2-ethyl-1H-imidazole
CID 15991487
1-(4-Fluorophenyl)sulfonyl-4-methylimidazole
CID 804721
1-[(4-bromophenyl)sulfonyl]-4-methyl-1H-imidazole
CID 872533
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-bromobenzenesulfonamide;hydrochloride
CID 44219879
4-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 51089996
3-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 51089998

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole (CID 775784) is 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole?
The InChIKey is AOUROJDYTZRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-3-12-14-9(2)8-15(12)18(16,17)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole?
1-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole 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-(4-bromophenyl)sulfonyl-2-ethyl-4-methylimidazole is sourced from PubChem (CID 775784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).