4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C18H17FN2O4S — CID 16822444

IUPAC4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H17FN2O4S/c1-12(22)13-2-8-17(9-3-13)26(24,25)20-15-10-18(23)21(11-15)16-6-4-14(19)5-7-16/h2-9,15,20H,10-11H2,1H3
InChIKeyNZBDCRZMOJDERR-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.11
Rot. Bonds5

About 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 16822444) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID16822444
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H17FN2O4S/c1-12(22)13-2-8-17(9-3-13)26(24,25)20-15-10-18(23)21(11-15)16-6-4-14(19)5-7-16/h2-9,15,20H,10-11H2,1H3
InChIKeyNZBDCRZMOJDERR-UHFFFAOYSA-N
XLogP2.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564804
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 7564571
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 131892529

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 16822444) is 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is NZBDCRZMOJDERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-12(22)13-2-8-17(9-3-13)26(24,25)20-15-10-18(23)21(11-15)16-6-4-14(19)5-7-16/h2-9,15,20H,10-11H2,1H3.
What are the key properties of 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16822444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).