1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole

C14H18N2O2S — CID 869098

IUPAC1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCc1ccc(C)c(S(=O)(=O)n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O2S/c1-10(2)14-15-7-8-16(14)19(17,18)13-9-11(3)5-6-12(13)4/h5-10H,1-4H3
InChIKeyJLYHXUGXYYONRW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole

1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 869098) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID869098
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCc1ccc(C)c(S(=O)(=O)n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O2S/c1-10(2)14-15-7-8-16(14)19(17,18)13-9-11(3)5-6-12(13)4/h5-10H,1-4H3
InChIKeyJLYHXUGXYYONRW-UHFFFAOYSA-N
XLogP2.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole (CID 869098) is 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole is Cc1ccc(C)c(S(=O)(=O)n2ccnc2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is JLYHXUGXYYONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)14-15-7-8-16(14)19(17,18)13-9-11(3)5-6-12(13)4/h5-10H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 278.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 869098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).