1-(3,4-dimethylphenyl)sulfonylimidazole

C11H12N2O2S — CID 794420

IUPAC1-(3,4-dimethylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2ccnc2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-9-3-4-11(7-10(9)2)16(14,15)13-6-5-12-8-13/h3-8H,1-2H3
InChIKeyQBPAQGDVICOHMX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonylimidazole

1-(3,4-dimethylphenyl)sulfonylimidazole (PubChem CID 794420) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonylimidazole
PubChem CID794420
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(3,4-dimethylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2ccnc2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-9-3-4-11(7-10(9)2)16(14,15)13-6-5-12-8-13/h3-8H,1-2H3
InChIKeyQBPAQGDVICOHMX-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonylimidazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonylimidazole (CID 794420) is 1-(3,4-dimethylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonylimidazole is Cc1ccc(S(=O)(=O)n2ccnc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonylimidazole?
The InChIKey is QBPAQGDVICOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-3-4-11(7-10(9)2)16(14,15)13-6-5-12-8-13/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonylimidazole?
1-(3,4-dimethylphenyl)sulfonylimidazole has a molecular weight of 236.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonylimidazole is sourced from PubChem (CID 794420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).