5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C18H20F3N3O4S — CID 143610292

IUPAC5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCC(NOCc3cccc(C(F)(F)F)c3)CC2)c[nH]1
InChIInChI=1S/C18H20F3N3O4S/c19-18(20,21)14-3-1-2-13(10-14)12-28-23-15-6-8-24(9-7-15)29(26,27)16-4-5-17(25)22-11-16/h1-5,10-11,15,23H,6-9,12H2,(H,22,25)
InChIKeyDNSSFBDFGJWSRB-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.27
Rot. Bonds6

About 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 143610292) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID143610292
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC Name5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCC(NOCc3cccc(C(F)(F)F)c3)CC2)c[nH]1
InChIInChI=1S/C18H20F3N3O4S/c19-18(20,21)14-3-1-2-13(10-14)12-28-23-15-6-8-24(9-7-15)29(26,27)16-4-5-17(25)22-11-16/h1-5,10-11,15,23H,6-9,12H2,(H,22,25)
InChIKeyDNSSFBDFGJWSRB-UHFFFAOYSA-N
XLogP2.27
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3-Trifluoromethylbenzyloxyimino)piperidine-1-sulfonyl]-1H-pyridin-2-one
CID 57992945
5-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 91087764

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 143610292) is 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCC(NOCc3cccc(C(F)(F)F)c3)CC2)c[nH]1.
What is the InChIKey of 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is DNSSFBDFGJWSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c19-18(20,21)14-3-1-2-13(10-14)12-28-23-15-6-8-24(9-7-15)29(26,27)16-4-5-17(25)22-11-16/h1-5,10-11,15,23H,6-9,12H2,(H,22,25).
What are the key properties of 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 431.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 143610292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).