N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide

C20H19ClF3N3O4S — CID 25125238

IUPACN-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
SMILESO=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClF3N3O4S/c21-15-4-6-16(7-5-15)25-19(28)13-31-26-17-8-10-27(11-9-17)32(29,30)18-3-1-2-14(12-18)20(22,23)24/h1-7,12H,8-11,13H2,(H,25,28)
InChIKeyIMZMMQDPKFMIJX-UHFFFAOYSA-N
MW489.90 g/mol
LogP4.15
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide

N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide (PubChem CID 25125238) has the molecular formula C20H19ClF3N3O4S and a molecular weight of 489.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
PubChem CID25125238
Molecular FormulaC20H19ClF3N3O4S
Molecular Weight489.90 g/mol
Exact Mass489.07
IUPAC NameN-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
SMILESO=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClF3N3O4S/c21-15-4-6-16(7-5-15)25-19(28)13-31-26-17-8-10-27(11-9-17)32(29,30)18-3-1-2-14(12-18)20(22,23)24/h1-7,12H,8-11,13H2,(H,25,28)
InChIKeyIMZMMQDPKFMIJX-UHFFFAOYSA-N
XLogP4.15
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetic acid
CID 86656254
N',N'-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetohydrazide
CID 25126578
N-(1-hydroxypropan-2-yl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25125239
N-cyclohexyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25123572
2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 58378616
N-(2-methoxyethyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25126240
N-(5-methylhexan-2-yl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25126905
N-[(3-fluorophenyl)methyl]-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25125236
[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino] N-(3-fluorophenyl)carbamate
CID 87366938
N-(4-fluorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 123414938
N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 91295415
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide (CID 25125238) is N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide is O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The InChIKey is IMZMMQDPKFMIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O4S/c21-15-4-6-16(7-5-15)25-19(28)13-31-26-17-8-10-27(11-9-17)32(29,30)18-3-1-2-14(12-18)20(22,23)24/h1-7,12H,8-11,13H2,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide has a molecular weight of 489.90 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide is sourced from PubChem (CID 25125238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).