[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H12F4N2O3S — CID 168682229

IUPAC[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2c(F)cccc2C(F)(F)F)C1
InChIInChI=1S/C12H12F4N2O3S/c13-9-3-1-2-8(12(14,15)16)11(9)18-5-7(4-10(18)19)6-22(17,20)21/h1-3,7H,4-6H2,(H2,17,20,21)
InChIKeyVPVQMGFDHVZCMO-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.49
Rot. Bonds3

About [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682229) has the molecular formula C12H12F4N2O3S and a molecular weight of 340.30 g/mol. Its IUPAC name is [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682229
Molecular FormulaC12H12F4N2O3S
Molecular Weight340.30 g/mol
Exact Mass340.05
IUPAC Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2c(F)cccc2C(F)(F)F)C1
InChIInChI=1S/C12H12F4N2O3S/c13-9-3-1-2-8(12(14,15)16)11(9)18-5-7(4-10(18)19)6-22(17,20)21/h1-3,7H,4-6H2,(H2,17,20,21)
InChIKeyVPVQMGFDHVZCMO-UHFFFAOYSA-N
XLogP1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505232
3-fluoro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682246
4-(azidomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168657480
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674206
[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168682107
[1-[4-methoxy-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681139
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(4-cyano-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682303
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(6-amino-2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681412

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682229) is [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2c(F)cccc2C(F)(F)F)C1.
What is the InChIKey of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VPVQMGFDHVZCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3S/c13-9-3-1-2-8(12(14,15)16)11(9)18-5-7(4-10(18)19)6-22(17,20)21/h1-3,7H,4-6H2,(H2,17,20,21).
What are the key properties of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).