N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide

C20H21F3N2O6S — CID 142207294

IUPACN-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
SMILESO=C(NO)c1ccccc1S(=O)(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O6S/c21-20(22,23)31-16-7-5-14(6-8-16)13-30-15-9-11-25(12-10-15)32(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,15,27H,9-13H2,(H,24,26)
InChIKeyOUXVFBVDFKGVSO-UHFFFAOYSA-N
MW474.46 g/mol
LogP3.07
Rot. Bonds7

About N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide

N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide (PubChem CID 142207294) has the molecular formula C20H21F3N2O6S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
PubChem CID142207294
Molecular FormulaC20H21F3N2O6S
Molecular Weight474.46 g/mol
Exact Mass474.11
IUPAC NameN-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
SMILESO=C(NO)c1ccccc1S(=O)(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O6S/c21-20(22,23)31-16-7-5-14(6-8-16)13-30-15-9-11-25(12-10-15)32(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,15,27H,9-13H2,(H,24,26)
InChIKeyOUXVFBVDFKGVSO-UHFFFAOYSA-N
XLogP3.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[3-[(4-methoxybenzoyl)amino]pyrrolidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[(4-phenoxyphenyl)sulfamoyl]benzamide;N-hydroxy-2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 157230865
4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonyloxane-4-carbaldehyde
CID 142009718
N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028164
ethane;N-hydroxy-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfanyloxane-4-carboxamide
CID 142009786
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypentan-2-one
CID 58235378
3-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992802
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide (CID 142207294) is N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide is O=C(NO)c1ccccc1S(=O)(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide?
The InChIKey is OUXVFBVDFKGVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O6S/c21-20(22,23)31-16-7-5-14(6-8-16)13-30-15-9-11-25(12-10-15)32(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,15,27H,9-13H2,(H,24,26).
What are the key properties of N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide?
N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide has a molecular weight of 474.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 142207294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).