1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole

C13H16N2O4S — CID 794372

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-9H,4H2,1-3H3
InChIKeyYMPJMTCPQXYCKS-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.70
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole

1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole (PubChem CID 794372) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole
PubChem CID794372
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-9H,4H2,1-3H3
InChIKeyYMPJMTCPQXYCKS-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

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethoxybenzene-1-sulfonamide
CID 2992109
1-(4-Ethoxyphenyl)sulfonyl-4-methylimidazole
CID 801536
4-ethoxy-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 6459491
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-ethyl-4-methylimidazole
CID 741693
1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
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-(3,4-Dimethoxy-benzenesulfonyl)-2-methyl-5-nitro-1H-imidazole
CID 686056
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole (CID 794372) is 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is YMPJMTCPQXYCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-9H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
1-(3,4-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-(3,4-dimethoxyphenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 794372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).