2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole

C15H20N2O2S — CID 7574687

IUPAC2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
SMILESCc1cc(C)c(S(=O)(=O)n2ccnc2C(C)C)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-10(2)15-16-6-7-17(15)20(18,19)14-12(4)8-11(3)9-13(14)5/h6-10H,1-5H3
InChIKeyJZIPZJNRHYXNGL-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.17
Rot. Bonds3

About 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole

2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole (PubChem CID 7574687) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
PubChem CID7574687
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
SMILESCc1cc(C)c(S(=O)(=O)n2ccnc2C(C)C)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-10(2)15-16-6-7-17(15)20(18,19)14-12(4)8-11(3)9-13(14)5/h6-10H,1-5H3
InChIKeyJZIPZJNRHYXNGL-UHFFFAOYSA-N
XLogP3.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole?
The IUPAC name of 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole (CID 7574687) is 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole.
What is the SMILES notation for 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole?
The canonical SMILES for 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole is Cc1cc(C)c(S(=O)(=O)n2ccnc2C(C)C)c(C)c1.
What is the InChIKey of 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole?
The InChIKey is JZIPZJNRHYXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)15-16-6-7-17(15)20(18,19)14-12(4)8-11(3)9-13(14)5/h6-10H,1-5H3.
What are the key properties of 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole?
2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole has a molecular weight of 292.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole is sourced from PubChem (CID 7574687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).