1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine

C13H16F4N2O2S — CID 119980033

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F4N2O2S/c1-18-10-4-6-19(7-5-10)22(20,21)12-3-2-9(14)8-11(12)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3
InChIKeyMUFWNSPUFWGKES-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119980033) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
PubChem CID119980033
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F4N2O2S/c1-18-10-4-6-19(7-5-10)22(20,21)12-3-2-9(14)8-11(12)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3
InChIKeyMUFWNSPUFWGKES-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine (CID 119980033) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is MUFWNSPUFWGKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c1-18-10-4-6-19(7-5-10)22(20,21)12-3-2-9(14)8-11(12)13(15,16)17/h2-3,8,10,18H,4-7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 340.34 g/mol, XLogP of 2.22, 3 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]sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119980033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).