1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole

C13H15BrN2O3S — CID 1125097

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2O3S/c1-4-13-15-9(2)8-16(13)20(17,18)12-7-10(14)5-6-11(12)19-3/h5-8H,4H2,1-3H3
InChIKeySDMMYBHYEFOUHE-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.76
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole (PubChem CID 1125097) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
PubChem CID1125097
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2O3S/c1-4-13-15-9(2)8-16(13)20(17,18)12-7-10(14)5-6-11(12)19-3/h5-8H,4H2,1-3H3
InChIKeySDMMYBHYEFOUHE-UHFFFAOYSA-N
XLogP2.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole (CID 1125097) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The InChIKey is SDMMYBHYEFOUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-4-13-15-9(2)8-16(13)20(17,18)12-7-10(14)5-6-11(12)19-3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole has a molecular weight of 359.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole is sourced from PubChem (CID 1125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).