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

C12H14N2O4S — CID 168716979

IUPAC1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(=O)c1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O4S/c1-8(15)9-3-2-4-10(5-9)14-7-11(6-12(14)16)19(13,17)18/h2-5,11H,6-7H2,1H3,(H2,13,17,18)
InChIKeyBDYXUOOEZARODL-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.28
Rot. Bonds3

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

1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716979) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716979
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(=O)c1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O4S/c1-8(15)9-3-2-4-10(5-9)14-7-11(6-12(14)16)19(13,17)18/h2-5,11H,6-7H2,1H3,(H2,13,17,18)
InChIKeyBDYXUOOEZARODL-UHFFFAOYSA-N
XLogP0.28
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716941
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716979) is 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide is CC(=O)c1cccc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is BDYXUOOEZARODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8(15)9-3-2-4-10(5-9)14-7-11(6-12(14)16)19(13,17)18/h2-5,11H,6-7H2,1H3,(H2,13,17,18).
What are the key properties of 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).