1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C12H12F4N2O3S — CID 60583832

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-5-1-2-10(18)11(17)19/h3-4,6,10H,1-2,5H2,(H2,17,19)
InChIKeyFNAGEKICKGFYEN-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.48
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 60583832) has the molecular formula C12H12F4N2O3S and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID60583832
Molecular FormulaC12H12F4N2O3S
Molecular Weight340.30 g/mol
Exact Mass340.05
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-5-1-2-10(18)11(17)19/h3-4,6,10H,1-2,5H2,(H2,17,19)
InChIKeyFNAGEKICKGFYEN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide 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

1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2960770
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide
CID 52885750
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 60583832) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FNAGEKICKGFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-5-1-2-10(18)11(17)19/h3-4,6,10H,1-2,5H2,(H2,17,19).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60583832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).