1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one

C16H23N3O3S — CID 146092548

IUPAC1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
SMILESNc1ccccc1S(=O)(=O)N1CCCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H23N3O3S/c17-14-6-1-2-7-15(14)23(21,22)18-10-3-5-13(9-12-18)19-11-4-8-16(19)20/h1-2,6-7,13H,3-5,8-12,17H2
InChIKeyYTVJZJMCUMQKNN-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.43
Rot. Bonds3

About 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one

1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one (PubChem CID 146092548) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
PubChem CID146092548
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
SMILESNc1ccccc1S(=O)(=O)N1CCCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H23N3O3S/c17-14-6-1-2-7-15(14)23(21,22)18-10-3-5-13(9-12-18)19-11-4-8-16(19)20/h1-2,6-7,13H,3-5,8-12,17H2
InChIKeyYTVJZJMCUMQKNN-UHFFFAOYSA-N
XLogP1.43
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one 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-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
2-(4-cyclobutyloxypiperidin-1-yl)sulfonylaniline
CID 146133864
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 46853680
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one (CID 146092548) is 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one is Nc1ccccc1S(=O)(=O)N1CCCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one?
The InChIKey is YTVJZJMCUMQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-14-6-1-2-7-15(14)23(21,22)18-10-3-5-13(9-12-18)19-11-4-8-16(19)20/h1-2,6-7,13H,3-5,8-12,17H2.
What are the key properties of 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one?
1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one has a molecular weight of 337.45 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 146092548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).