ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate

C13H14N2O6S — CID 8593958

IUPACethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
SMILESCCOC(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O
InChIInChI=1S/C13H14N2O6S/c1-3-21-13(17)14-8-9-15(12(14)16)22(18,19)11-6-4-10(20-2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyUQGAZZQWAXHSHC-UHFFFAOYSA-N
MW326.33 g/mol
LogP0.90
Rot. Bonds4

About ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate

ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate (PubChem CID 8593958) has the molecular formula C13H14N2O6S and a molecular weight of 326.33 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
PubChem CID8593958
Molecular FormulaC13H14N2O6S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC Nameethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
SMILESCCOC(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O
InChIInChI=1S/C13H14N2O6S/c1-3-21-13(17)14-8-9-15(12(14)16)22(18,19)11-6-4-10(20-2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyUQGAZZQWAXHSHC-UHFFFAOYSA-N
XLogP0.90
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-ethylbutanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593899
ethyl 4-[3-(4-methylphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate
CID 8593740
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
N-cyclopentyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]acetamide
CID 8594127
1-(3,4-dimethylphenyl)sulfonyl-3-[2-(3-methoxyphenoxy)acetyl]imidazol-2-one
CID 8594026
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8594158
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
ethyl 2-(4-methoxyphenyl)sulfonylpentanoate
CID 10979504

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate (CID 8593958) is ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate is CCOC(=O)n1ccn(S(=O)(=O)c2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate?
The InChIKey is UQGAZZQWAXHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S/c1-3-21-13(17)14-8-9-15(12(14)16)22(18,19)11-6-4-10(20-2)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate?
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate is sourced from PubChem (CID 8593958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).