[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate

C15H18N2O4S — CID 23343223

IUPAC[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C)nc(C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O4S/c1-10-5-7-14(8-6-10)22(19,20)17-12(3)16-11(2)15(17)9-21-13(4)18/h5-8H,9H2,1-4H3
InChIKeyMYWYOLWYTFGFQD-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.11
Rot. Bonds4

About [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate

[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate (PubChem CID 23343223) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate
PubChem CID23343223
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C)nc(C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O4S/c1-10-5-7-14(8-6-10)22(19,20)17-12(3)16-11(2)15(17)9-21-13(4)18/h5-8H,9H2,1-4H3
InChIKeyMYWYOLWYTFGFQD-UHFFFAOYSA-N
XLogP2.11
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate?
The IUPAC name of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate (CID 23343223) is [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate.
What is the SMILES notation for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate?
The canonical SMILES for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate is CC(=O)OCc1c(C)nc(C)n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate?
The InChIKey is MYWYOLWYTFGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-5-7-14(8-6-10)22(19,20)17-12(3)16-11(2)15(17)9-21-13(4)18/h5-8H,9H2,1-4H3.
What are the key properties of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate?
[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate has a molecular weight of 322.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate is sourced from PubChem (CID 23343223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).