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

C12H13BrN2O3S — CID 699054

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H13BrN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3
InChIKeyKMJGKJSBAHLWNB-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.45
Rot. Bonds4

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

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole (PubChem CID 699054) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole
PubChem CID699054
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H13BrN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3
InChIKeyKMJGKJSBAHLWNB-UHFFFAOYSA-N
XLogP2.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
CID 794495
1-(5-Bromo-2-methoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 1115773
1-[(2,5-diethoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 686069
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882
1-(2,5-Dimethoxyphenyl)sulfonyl-2-propylimidazole
CID 755299
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 775774
1-(5-Bromo-2-methoxy-benzenesulfonyl)-2-ethyl-4-methyl-1H-imidazole
CID 1125097
1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonyl]-2-ethyl-4-methyl-1H-imidazole
CID 1259448
1-(3-Bromo-4-methoxyphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048839
1-(4-Bromo-3-methoxyphenyl)sulfonyl-4-methylimidazole
CID 850095
1-(4-Bromo-3-ethoxyphenyl)sulfonylimidazole
CID 1258618

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole (CID 699054) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is KMJGKJSBAHLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 345.22 g/mol, XLogP of 2.45, 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-ethylimidazole is sourced from PubChem (CID 699054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).