N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C11H12N2O5S — CID 137474003

IUPACN-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O5S/c14-8-6-12-10(15)9(8)11(16)13-19(17,18)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2,(H,12,15)(H,13,16)
InChIKeyHLSJGEVHZOTJLF-UHFFFAOYSA-N
MW284.29 g/mol
LogP-1.40
Rot. Bonds3

About N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 137474003) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID137474003
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC NameN-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O5S/c14-8-6-12-10(15)9(8)11(16)13-19(17,18)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2,(H,12,15)(H,13,16)
InChIKeyHLSJGEVHZOTJLF-UHFFFAOYSA-N
XLogP-1.40
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide 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

ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
CID 142524494
N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide
CID 142978877
1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 142438412
N-(benzenesulfonyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 103308797
4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide
CID 142448506
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448486
4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
(3aS,6aR)-N-(benzenesulfonyl)-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 166291996

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 137474003) is N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HLSJGEVHZOTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c14-8-6-12-10(15)9(8)11(16)13-19(17,18)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2,(H,12,15)(H,13,16).
What are the key properties of N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 284.29 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 137474003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).