2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole

C14H18N2O2S — CID 46282677

IUPAC2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole
SMILESCCc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-12-6-8-13(9-7-12)19(17,18)16-10-11(3)15-14(16)5-2/h6-10H,4-5H2,1-3H3
InChIKeyAEDVABAMGRTULV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.55
Rot. Bonds4

About 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole

2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole (PubChem CID 46282677) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole
PubChem CID46282677
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole
SMILESCCc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-12-6-8-13(9-7-12)19(17,18)16-10-11(3)15-14(16)5-2/h6-10H,4-5H2,1-3H3
InChIKeyAEDVABAMGRTULV-UHFFFAOYSA-N
XLogP2.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole (CID 46282677) is 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole is CCc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1.
What is the InChIKey of 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is AEDVABAMGRTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-12-6-8-13(9-7-12)19(17,18)16-10-11(3)15-14(16)5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole?
2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 278.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 46282677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).