1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide

C12H12F4N2O3S — CID 168718294

IUPAC1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C12H12F4N2O3S/c13-10-2-1-8(12(14,15)16)3-7(10)5-18-6-9(4-11(18)19)22(17,20)21/h1-3,9H,4-6H2,(H2,17,20,21)
InChIKeyMHCLIMMSVIOIBV-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.23
Rot. Bonds3

About 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide

1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718294) has the molecular formula C12H12F4N2O3S and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718294
Molecular FormulaC12H12F4N2O3S
Molecular Weight340.30 g/mol
Exact Mass340.05
IUPAC Name1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C12H12F4N2O3S/c13-10-2-1-8(12(14,15)16)3-7(10)5-18-6-9(4-11(18)19)22(17,20)21/h1-3,9H,4-6H2,(H2,17,20,21)
InChIKeyMHCLIMMSVIOIBV-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
CID 168715104
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 154898207
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718294) is 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2cc(C(F)(F)F)ccc2F)C1.
What is the InChIKey of 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is MHCLIMMSVIOIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3S/c13-10-2-1-8(12(14,15)16)3-7(10)5-18-6-9(4-11(18)19)22(17,20)21/h1-3,9H,4-6H2,(H2,17,20,21).
What are the key properties of 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide?
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 340.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).