1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide

C15H21N3O4S — CID 168717645

IUPAC1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1N1CCOCC1
InChIInChI=1S/C15H21N3O4S/c1-11-8-12(2-3-14(11)17-4-6-22-7-5-17)18-10-13(9-15(18)19)23(16,20)21/h2-3,8,13H,4-7,9-10H2,1H3,(H2,16,20,21)
InChIKeyAECGIJQEPLOCJP-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.23
Rot. Bonds3

About 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717645) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717645
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1N1CCOCC1
InChIInChI=1S/C15H21N3O4S/c1-11-8-12(2-3-14(11)17-4-6-22-7-5-17)18-10-13(9-15(18)19)23(16,20)21/h2-3,8,13H,4-7,9-10H2,1H3,(H2,16,20,21)
InChIKeyAECGIJQEPLOCJP-UHFFFAOYSA-N
XLogP0.23
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide 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-(3-methyl-4-morpholin-4-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708808
1-(3-methyl-4-morpholin-4-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670404
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734
4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168688054
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712858
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168718761
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717608
1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716941

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717645) is 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1N1CCOCC1.
What is the InChIKey of 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is AECGIJQEPLOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-8-12(2-3-14(11)17-4-6-22-7-5-17)18-10-13(9-15(18)19)23(16,20)21/h2-3,8,13H,4-7,9-10H2,1H3,(H2,16,20,21).
What are the key properties of 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).