5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide

C10H9F3N2O3S — CID 168718544

IUPAC5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C10H9F3N2O3S/c11-6-1-2-7(10(13)9(6)12)15-4-5(3-8(15)16)19(14,17)18/h1-2,5H,3-4H2,(H2,14,17,18)
InChIKeyZSCNXIVTKUHOLZ-UHFFFAOYSA-N
MW294.25 g/mol
LogP0.50
Rot. Bonds2

About 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide

5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide (PubChem CID 168718544) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
PubChem CID168718544
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C10H9F3N2O3S/c11-6-1-2-7(10(13)9(6)12)15-4-5(3-8(15)16)19(14,17)18/h1-2,5H,3-4H2,(H2,14,17,18)
InChIKeyZSCNXIVTKUHOLZ-UHFFFAOYSA-N
XLogP0.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717109
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide (CID 168718544) is 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1.
What is the InChIKey of 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide?
The InChIKey is ZSCNXIVTKUHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-6-1-2-7(10(13)9(6)12)15-4-5(3-8(15)16)19(14,17)18/h1-2,5H,3-4H2,(H2,14,17,18).
What are the key properties of 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide has a molecular weight of 294.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).