2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

C11H13F3N2O2S — CID 104826074

IUPAC2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3N2O2S/c1-6-4-15-5-10(6)16-19(17,18)11-8(13)2-7(12)3-9(11)14/h2-3,6,10,15-16H,4-5H2,1H3
InChIKeyUONWGPAHHYIENZ-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.99
Rot. Bonds3

About 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 104826074) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID104826074
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3N2O2S/c1-6-4-15-5-10(6)16-19(17,18)11-8(13)2-7(12)3-9(11)14/h2-3,6,10,15-16H,4-5H2,1H3
InChIKeyUONWGPAHHYIENZ-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
N-(4-methylpyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104826100
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
CID 104826070
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (CID 104826074) is 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is CC1CNCC1NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is UONWGPAHHYIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-6-4-15-5-10(6)16-19(17,18)11-8(13)2-7(12)3-9(11)14/h2-3,6,10,15-16H,4-5H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 104826074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).