1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide

C11H12ClN3O4S — CID 4767736

IUPAC1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-9(11(17)14-13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)
InChIKeyCDLXWBIYWXFKGV-UHFFFAOYSA-N
MW317.75 g/mol
LogP0.01
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide

1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide (PubChem CID 4767736) has the molecular formula C11H12ClN3O4S and a molecular weight of 317.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
PubChem CID4767736
Molecular FormulaC11H12ClN3O4S
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-9(11(17)14-13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)
InChIKeyCDLXWBIYWXFKGV-UHFFFAOYSA-N
XLogP0.01
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide 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

(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
[amino-(4-chlorophenyl)methylidene]-[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]oxyazanium
CID 2209564
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 11349564
(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92751822
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93072342
(2R)-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1294852
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2212166
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1093265

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide (CID 4767736) is 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide is NNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The InChIKey is CDLXWBIYWXFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-9(11(17)14-13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide has a molecular weight of 317.75 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide is sourced from PubChem (CID 4767736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).