(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide

C20H24F3N3O2S — CID 95809670

IUPAC(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C20H24F3N3O2S/c1-25(2)29(27,28)26-12-4-5-16(14-26)19-7-3-6-18(24-19)13-15-8-10-17(11-9-15)20(21,22)23/h3,6-11,16H,4-5,12-14H2,1-2H3/t16-/m1/s1
InChIKeyUAEVEQMCYFJBCB-MRXNPFEDSA-N
MW427.49 g/mol
LogP3.68
Rot. Bonds5

About (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide

(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 95809670) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID95809670
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC Name(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C20H24F3N3O2S/c1-25(2)29(27,28)26-12-4-5-16(14-26)19-7-3-6-18(24-19)13-15-8-10-17(11-9-15)20(21,22)23/h3,6-11,16H,4-5,12-14H2,1-2H3/t16-/m1/s1
InChIKeyUAEVEQMCYFJBCB-MRXNPFEDSA-N
XLogP3.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide (CID 95809670) is (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is UAEVEQMCYFJBCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-25(2)29(27,28)26-12-4-5-16(14-26)19-7-3-6-18(24-19)13-15-8-10-17(11-9-15)20(21,22)23/h3,6-11,16H,4-5,12-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide?
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 427.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 95809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).