1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

C12H16N2O4S — CID 168717113

IUPAC1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKeyVIKFBSIXJQGIQA-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.48
Rot. Bonds4

About 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717113) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717113
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKeyVIKFBSIXJQGIQA-UHFFFAOYSA-N
XLogP0.48
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide 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

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717109
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 16919630
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
CID 168717232

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717113) is 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is CCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is VIKFBSIXJQGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).