1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole

C13H16N2O3S — CID 1094932

IUPAC1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole
SMILESCOc1ccc(S(=O)(=O)n2ccnc2C)c(C)c1C
InChIInChI=1S/C13H16N2O3S/c1-9-10(2)13(6-5-12(9)18-4)19(16,17)15-8-7-14-11(15)3/h5-8H,1-4H3
InChIKeyDZZGIXHAFVXSKV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole

1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole (PubChem CID 1094932) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole
PubChem CID1094932
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole
SMILESCOc1ccc(S(=O)(=O)n2ccnc2C)c(C)c1C
InChIInChI=1S/C13H16N2O3S/c1-9-10(2)13(6-5-12(9)18-4)19(16,17)15-8-7-14-11(15)3/h5-8H,1-4H3
InChIKeyDZZGIXHAFVXSKV-UHFFFAOYSA-N
XLogP2.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole (CID 1094932) is 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole is COc1ccc(S(=O)(=O)n2ccnc2C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole?
The InChIKey is DZZGIXHAFVXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-10(2)13(6-5-12(9)18-4)19(16,17)15-8-7-14-11(15)3/h5-8H,1-4H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole?
1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole has a molecular weight of 280.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 1094932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).