1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

C13H15BrN2O3S — CID 50876292

IUPAC1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1cc(Br)ccc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C13H15BrN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-5-4-10(14)8-11(12)19-3/h4-9H,1-3H3
InChIKeyOGRYIRSUWYDXST-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 50876292) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID50876292
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1cc(Br)ccc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C13H15BrN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-5-4-10(14)8-11(12)19-3/h4-9H,1-3H3
InChIKeyOGRYIRSUWYDXST-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 7574686
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 775774
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 7574687
1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 50876291
2-propan-2-ylimidazole-1-sulfonic acid
CID 174993071
[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine
CID 25118042
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole
CID 50876294
1-(5-bromo-2-methylphenyl)sulfonyl-2-ethylimidazole
CID 14074992
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (CID 50876292) is 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is COc1cc(Br)ccc1S(=O)(=O)n1ccnc1C(C)C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is OGRYIRSUWYDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-5-4-10(14)8-11(12)19-3/h4-9H,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 359.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 50876292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).