1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

C12H14F4N2O2S — CID 119959137

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H14F4N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-5-3-9(17)4-6-18/h1-2,7,9H,3-6,17H2
InChIKeyRIULGDMWWCUMMP-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.96
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 119959137) has the molecular formula C12H14F4N2O2S and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID119959137
Molecular FormulaC12H14F4N2O2S
Molecular Weight326.32 g/mol
Exact Mass326.07
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H14F4N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-5-3-9(17)4-6-18/h1-2,7,9H,3-6,17H2
InChIKeyRIULGDMWWCUMMP-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977697
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (CID 119959137) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is RIULGDMWWCUMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-5-3-9(17)4-6-18/h1-2,7,9H,3-6,17H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 326.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).