1-(4-methoxyphenyl)sulfonyl-4-methylimidazole

C11H12N2O3S — CID 804716

IUPAC1-(4-methoxyphenyl)sulfonyl-4-methylimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C11H12N2O3S/c1-9-7-13(8-12-9)17(14,15)11-5-3-10(16-2)4-6-11/h3-8H,1-2H3
InChIKeyWJJCAGFRLRUZCA-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.44
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole

1-(4-methoxyphenyl)sulfonyl-4-methylimidazole (PubChem CID 804716) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-methylimidazole
PubChem CID804716
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-methylimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C11H12N2O3S/c1-9-7-13(8-12-9)17(14,15)11-5-3-10(16-2)4-6-11/h3-8H,1-2H3
InChIKeyWJJCAGFRLRUZCA-UHFFFAOYSA-N
XLogP1.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole (CID 804716) is 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole is COc1ccc(S(=O)(=O)n2cnc(C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole?
The InChIKey is WJJCAGFRLRUZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-9-7-13(8-12-9)17(14,15)11-5-3-10(16-2)4-6-11/h3-8H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole?
1-(4-methoxyphenyl)sulfonyl-4-methylimidazole has a molecular weight of 252.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 804716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).