2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole

C14H18N2O3S — CID 1094933

IUPAC2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18N2O3S/c1-5-14-15-8-9-16(14)20(17,18)13-7-6-12(19-4)10(2)11(13)3/h6-9H,5H2,1-4H3
InChIKeyVVHIVZYXPNYPCF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.31
Rot. Bonds4

About 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole

2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole (PubChem CID 1094933) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole
PubChem CID1094933
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18N2O3S/c1-5-14-15-8-9-16(14)20(17,18)13-7-6-12(19-4)10(2)11(13)3/h6-9H,5H2,1-4H3
InChIKeyVVHIVZYXPNYPCF-UHFFFAOYSA-N
XLogP2.31
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole?
The IUPAC name of 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole (CID 1094933) is 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole?
The canonical SMILES for 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole is CCc1nccn1S(=O)(=O)c1ccc(OC)c(C)c1C.
What is the InChIKey of 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole?
The InChIKey is VVHIVZYXPNYPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-14-15-8-9-16(14)20(17,18)13-7-6-12(19-4)10(2)11(13)3/h6-9H,5H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole?
2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole has a molecular weight of 294.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylimidazole is sourced from PubChem (CID 1094933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).