1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

C12H14ClF3N2O2S — CID 43556339

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-2-1-8(12(14,15)16)7-11(10)21(19,20)18-5-3-9(17)4-6-18/h1-2,7,9H,3-6,17H2
InChIKeyPZUFCQXRXYXKRM-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.47
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 43556339) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID43556339
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-2-1-8(12(14,15)16)7-11(10)21(19,20)18-5-3-9(17)4-6-18/h1-2,7,9H,3-6,17H2
InChIKeyPZUFCQXRXYXKRM-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (CID 43556339) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is PZUFCQXRXYXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-10-2-1-8(12(14,15)16)7-11(10)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-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 342.77 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 43556339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).