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

C12H14N2O4S — CID 742882

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1
InChIInChI=1S/C12H14N2O4S/c1-9-13-6-7-14(9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3
InChIKeyHEUNRQGUTOSCPG-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.45
Rot. Bonds4

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

1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole (PubChem CID 742882) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole
PubChem CID742882
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1
InChIInChI=1S/C12H14N2O4S/c1-9-13-6-7-14(9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3
InChIKeyHEUNRQGUTOSCPG-UHFFFAOYSA-N
XLogP1.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.45
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
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
1-(2-Methoxy-5-methyl-benzenesulfonyl)-2-methyl-5-nitro-1H-imidazole
CID 1125111
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-(5-Chloro-2-methoxyphenyl)sulfonylimidazole
CID 775798
5-fluoro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2989910

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole (CID 742882) is 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole is COc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole?
The InChIKey is HEUNRQGUTOSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9-13-6-7-14(9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-2-methylimidazole has a molecular weight of 282.32 g/mol, XLogP of 1.45, 4 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-methylimidazole is sourced from PubChem (CID 742882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).