2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide

C11H14F3N3O2S — CID 154804913

IUPAC2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCC1CCCN1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O2S/c1-8-3-2-6-17(8)20(18,19)16-9-4-5-10(15-7-9)11(12,13)14/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyWFWBJSZIYAXIIJ-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide

2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 154804913) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID154804913
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCC1CCCN1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O2S/c1-8-3-2-6-17(8)20(18,19)16-9-4-5-10(15-7-9)11(12,13)14/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyWFWBJSZIYAXIIJ-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide
CID 137157769
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide
CID 126771675
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
ethane;1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine;N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826750
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 82795263
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
N-[(4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 70919588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide (CID 154804913) is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide is CC1CCCN1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is WFWBJSZIYAXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-8-3-2-6-17(8)20(18,19)16-9-4-5-10(15-7-9)11(12,13)14/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide?
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 154804913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).