1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid

C17H15NO5S — CID 71328969

IUPAC1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO5S/c19-15-11-14(12-7-3-1-4-8-12)16(17(20)21)18(15)24(22,23)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,20,21)
InChIKeyJNAZLUKXXGRABS-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.84
Rot. Bonds4

About 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid

1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (PubChem CID 71328969) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
PubChem CID71328969
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO5S/c19-15-11-14(12-7-3-1-4-8-12)16(17(20)21)18(15)24(22,23)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,20,21)
InChIKeyJNAZLUKXXGRABS-UHFFFAOYSA-N
XLogP1.84
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid 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-Methylphenyl)sulfonyl)-5-oxoproline
CID 89558
N-(Toluene4-sulfonyl)-L-prolyl-L-phenylalanine
CID 9931728
1-[(4-Methylphenyl)sulfonyl]-5-oxo-L-proline
CID 1504149
(2S)-2-[[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 20793953
(2S)-3-(4-fluorophenyl)-2-[[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 20793954
2-[[(4R)-4-amino-1-(3-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 54461846
(2S)-2-[[(2S,4R)-4-amino-1-(3-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 54461847
(2R,5R)-1-(benzenesulfonyl)-5-(4-fluorophenyl)-2-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 68499497
dimethyl (3R)-1-(4-methylphenyl)sulfonyl-5-oxo-3-phenylpyrrolidine-2,2-dicarboxylate
CID 102129989
Benzenesulfonyl-propyl-phenylalanine
CID 129846055
ethyl (2S,3R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 139050405
methyl 2-((2R,3R)-5-oxo-3-phenyl-1-tosylpyrrolidin-2-yl)acetate
CID 177823732

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (CID 71328969) is 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is O=C(O)C1C(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is JNAZLUKXXGRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c19-15-11-14(12-7-3-1-4-8-12)16(17(20)21)18(15)24(22,23)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,20,21).
What are the key properties of 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71328969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).