1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole

C13H16N2O4S — CID 794493

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)12-9-10(18-2)5-6-11(12)19-3/h5-9H,4H2,1-3H3
InChIKeyIMSLDUZXRQTEII-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.70
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole

1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole (PubChem CID 794493) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
PubChem CID794493
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)12-9-10(18-2)5-6-11(12)19-3/h5-9H,4H2,1-3H3
InChIKeyIMSLDUZXRQTEII-UHFFFAOYSA-N
XLogP1.70
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethoxybenzene-1-sulfonamide
CID 2992109
4-ethoxy-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 6459491
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-ethyl-4-methylimidazole
CID 741693
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
CID 794495
1-[(4-Methoxyphenyl)sulfonyl]-4-methylimidazole
CID 804716
4-Fluoro-N-(3-imidazol-1-yl-propyl)-3-methoxy-benzenesulfonamide
CID 6493482
3-fluoro-N-[3-(1H-imidazol-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 6473542
1-[(2,5-diethoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 686069
1-(5-Chloro-2-methoxyphenyl)sulfonylimidazole
CID 775798
5-fluoro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2989910
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-ethyl-1H-imidazole
CID 699054
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole (CID 794493) is 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is IMSLDUZXRQTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)12-9-10(18-2)5-6-11(12)19-3/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 296.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 794493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).