1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole

C12H14N2O3S — CID 801536

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-8-10(2)13-9-14/h4-9H,3H2,1-2H3
InChIKeyCLYKBNWNCUKPMV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.83
Rot. Bonds4

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

1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole (PubChem CID 801536) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole
PubChem CID801536
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-8-10(2)13-9-14/h4-9H,3H2,1-2H3
InChIKeyCLYKBNWNCUKPMV-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole (CID 801536) is 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole is CCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole?
The InChIKey is CLYKBNWNCUKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-8-10(2)13-9-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole?
1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole has a molecular weight of 266.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 801536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).