1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole

C14H18N2O3S — CID 11841653

IUPAC1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-8-10(2)11(3)9-14(13)20(17,18)16-7-6-15-12(16)4/h6-9H,5H2,1-4H3
InChIKeyGSAPRQPTNUATDV-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole

1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole (PubChem CID 11841653) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole
PubChem CID11841653
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C14H18N2O3S/c1-5-19-13-8-10(2)11(3)9-14(13)20(17,18)16-7-6-15-12(16)4/h6-9H,5H2,1-4H3
InChIKeyGSAPRQPTNUATDV-UHFFFAOYSA-N
XLogP2.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 775774
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole
CID 16805046
1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 35202176
1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 50876291
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
CID 15943816
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 71671322
1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole
CID 16805051
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole (CID 11841653) is 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole is CCOc1cc(C)c(C)cc1S(=O)(=O)n1ccnc1C.
What is the InChIKey of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole?
The InChIKey is GSAPRQPTNUATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-19-13-8-10(2)11(3)9-14(13)20(17,18)16-7-6-15-12(16)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole?
1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole has a molecular weight of 294.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 11841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).