1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide

C14H17N3O4S — CID 168716941

IUPAC1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(=O)N1CCc2ccc(N3CC(S(N)(=O)=O)CC3=O)cc21
InChIInChI=1S/C14H17N3O4S/c1-9(18)16-5-4-10-2-3-11(6-13(10)16)17-8-12(7-14(17)19)22(15,20)21/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,20,21)
InChIKeyWMHNSOHUSQNKNF-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.01
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide

1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716941) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716941
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(=O)N1CCc2ccc(N3CC(S(N)(=O)=O)CC3=O)cc21
InChIInChI=1S/C14H17N3O4S/c1-9(18)16-5-4-10-2-3-11(6-13(10)16)17-8-12(7-14(17)19)22(15,20)21/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,20,21)
InChIKeyWMHNSOHUSQNKNF-UHFFFAOYSA-N
XLogP-0.01
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetyl-2,3-dihydroindol-6-yl)-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-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659198
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717645
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
2-nitro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718770
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168716941) is 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide is CC(=O)N1CCc2ccc(N3CC(S(N)(=O)=O)CC3=O)cc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is WMHNSOHUSQNKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9(18)16-5-4-10-2-3-11(6-13(10)16)17-8-12(7-14(17)19)22(15,20)21/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,20,21).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).