2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine

C8H9F3N2O2S — CID 2800648

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine
SMILESNCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)6-1-2-7(13-5-6)16(14,15)4-3-12/h1-2,5H,3-4,12H2
InChIKeyWIUNOYUKLDXCAU-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.83
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine (PubChem CID 2800648) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine
PubChem CID2800648
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine
SMILESNCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)6-1-2-7(13-5-6)16(14,15)4-3-12/h1-2,5H,3-4,12H2
InChIKeyWIUNOYUKLDXCAU-UHFFFAOYSA-N
XLogP0.83
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
2-(Benzenesulfonyl)pyridine
CID 289829
2-(Methylsulfonyl)pyridine
CID 98667
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
Gtps (ssre-018)
CID 146030227
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
(E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099448
5-(4-Fluorophenethyl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099514
Pyridine, 2-[2-(4-chlorophenylsulfonyl)ethylthio]-5-trifluoromethyl-
CID 609897
2-Pyridyl 4-methylphenyl sulfone
CID 365389

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine (CID 2800648) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine is NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine?
The InChIKey is WIUNOYUKLDXCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)6-1-2-7(13-5-6)16(14,15)4-3-12/h1-2,5H,3-4,12H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine has a molecular weight of 254.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanamine is sourced from PubChem (CID 2800648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).