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

C16H13BrN2O3S — CID 4048187

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1ccnc1-c1ccccc1
InChIInChI=1S/C16H13BrN2O3S/c1-22-14-8-7-13(17)11-15(14)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyAIYRXEATXVNKBX-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.56
Rot. Bonds4

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

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole (PubChem CID 4048187) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
PubChem CID4048187
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1ccnc1-c1ccccc1
InChIInChI=1S/C16H13BrN2O3S/c1-22-14-8-7-13(17)11-15(14)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyAIYRXEATXVNKBX-UHFFFAOYSA-N
XLogP3.56
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 775774
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1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
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1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole
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1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27444766
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46202755
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole
CID 5303804
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole (CID 4048187) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole is COc1ccc(Br)cc1S(=O)(=O)n1ccnc1-c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole?
The InChIKey is AIYRXEATXVNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-22-14-8-7-13(17)11-15(14)23(20,21)19-10-9-18-16(19)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole has a molecular weight of 393.26 g/mol, XLogP of 3.56, 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-phenylimidazole is sourced from PubChem (CID 4048187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).