2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide

C8H9F3N2O2S — CID 114827746

IUPAC2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ccncc1C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H9F3N2O2S/c1-5-2-3-13-4-6(5)7(8(9,10)11)16(12,14)15/h2-4,7H,1H3,(H2,12,14,15)
InChIKeyJCCBIVYLADRRJW-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.28
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide

2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 114827746) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID114827746
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ccncc1C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H9F3N2O2S/c1-5-2-3-13-4-6(5)7(8(9,10)11)16(12,14)15/h2-4,7H,1H3,(H2,12,14,15)
InChIKeyJCCBIVYLADRRJW-UHFFFAOYSA-N
XLogP1.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827613
2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide
CID 114827675
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide
CID 101042278
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130765840
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
[2,2-dimethyl-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105203072
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide (CID 114827746) is 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide is Cc1ccncc1C(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is JCCBIVYLADRRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5-2-3-13-4-6(5)7(8(9,10)11)16(12,14)15/h2-4,7H,1H3,(H2,12,14,15).
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide?
2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 114827746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).