N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide

C19H21FN2O4S — CID 16919638

IUPACN-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-2-26-17-7-5-16(6-8-17)22-13-14(11-19(22)23)12-21-27(24,25)18-9-3-15(20)4-10-18/h3-10,14,21H,2,11-13H2,1H3
InChIKeyBVOJFYACQPARCJ-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.56
Rot. Bonds7

About N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide

N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 16919638) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID16919638
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-2-26-17-7-5-16(6-8-17)22-13-14(11-19(22)23)12-21-27(24,25)18-9-3-15(20)4-10-18/h3-10,14,21H,2,11-13H2,1H3
InChIKeyBVOJFYACQPARCJ-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide 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

4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16919655
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 16919630
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40912055
3-chloro-N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912077
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-nitrobenzenesulfonamide
CID 16919680
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919671
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide (CID 16919638) is N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide is CCOc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is BVOJFYACQPARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-2-26-17-7-5-16(6-8-17)22-13-14(11-19(22)23)12-21-27(24,25)18-9-3-15(20)4-10-18/h3-10,14,21H,2,11-13H2,1H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16919638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).