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

C12H16N2O4S — CID 168717122

IUPAC1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-5-3-4-9(6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKeyJPBYKMISPIOKHP-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.48
Rot. Bonds4

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

1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717122) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717122
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H16N2O4S/c1-2-18-10-5-3-4-9(6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKeyJPBYKMISPIOKHP-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

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Related Compounds

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717109
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
CID 168656152
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717122) is 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is CCOc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JPBYKMISPIOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-18-10-5-3-4-9(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-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-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-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).