[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine

C13H16ClF3N2O2S — CID 119963733

IUPAC[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16ClF3N2O2S/c14-11-3-1-2-10(13(15,16)17)12(11)22(20,21)19-6-4-9(8-18)5-7-19/h1-3,9H,4-8,18H2
InChIKeyKQVBLBCXXJUIKO-UHFFFAOYSA-N
MW356.80 g/mol
LogP2.72
Rot. Bonds3

About [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine

[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine (PubChem CID 119963733) has the molecular formula C13H16ClF3N2O2S and a molecular weight of 356.80 g/mol. Its IUPAC name is [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
PubChem CID119963733
Molecular FormulaC13H16ClF3N2O2S
Molecular Weight356.80 g/mol
Exact Mass356.06
IUPAC Name[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16ClF3N2O2S/c14-11-3-1-2-10(13(15,16)17)12(11)22(20,21)19-6-4-9(8-18)5-7-19/h1-3,9H,4-8,18H2
InChIKeyKQVBLBCXXJUIKO-UHFFFAOYSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine (CID 119963733) is [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1.
What is the InChIKey of [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The InChIKey is KQVBLBCXXJUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S/c14-11-3-1-2-10(13(15,16)17)12(11)22(20,21)19-6-4-9(8-18)5-7-19/h1-3,9H,4-8,18H2.
What are the key properties of [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine has a molecular weight of 356.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 119963733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).