2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C8H10F3N3O2S — CID 62149939

IUPAC2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-12-7-6(3-2-4-13-7)17(15,16)14-5-8(9,10)11/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyABNUVZJJLFSUTA-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.96
Rot. Bonds4

About 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 62149939) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID62149939
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-12-7-6(3-2-4-13-7)17(15,16)14-5-8(9,10)11/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyABNUVZJJLFSUTA-UHFFFAOYSA-N
XLogP0.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80524392
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252
2-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 62156810
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 105420260

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 62149939) is 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is ABNUVZJJLFSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-12-7-6(3-2-4-13-7)17(15,16)14-5-8(9,10)11/h2-4,14H,5H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 269.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62149939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).