4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C19H19F3N2O4S — CID 18616890

IUPAC4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)13-1-3-14(4-2-13)28-15-5-7-16(8-6-15)29(26,27)18(17(23)25)9-11-24-12-10-18/h1-8,24H,9-12H2,(H2,23,25)
InChIKeySTKPTIUCBNQJDF-UHFFFAOYSA-N
MW428.43 g/mol
LogP2.88
Rot. Bonds5

About 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 18616890) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID18616890
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)13-1-3-14(4-2-13)28-15-5-7-16(8-6-15)29(26,27)18(17(23)25)9-11-24-12-10-18/h1-8,24H,9-12H2,(H2,23,25)
InChIKeySTKPTIUCBNQJDF-UHFFFAOYSA-N
XLogP2.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-4-((4-(4-(trifluoromethyl)phenoxy)phenyl)sulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 9933197
N-hydroxy-1-(2-methoxyethyl)-4-((4-(4-(trifluoromethoxy)phenoxy)phenyl)sulfonyl)piperidine-4-carboxamide
CID 9892815
N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-(2-phenylethyl)piperidine-4-carboxamide Hydrochloride
CID 11548265
alpha-Sulfone piperidine hydroxamate, 1a
CID 10134897
1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidine-4-carboxamide Hydrochloride
CID 11496422
alpha-Sulfone 27g
CID 11561492
alpha-Sulfone 27c
CID 11589973
alpha-Sulfone 27h
CID 11619415
alpha-Sulfone 27i
CID 11620133
1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 11697283
alpha-Sulfone 27e
CID 11719409
N-hydroxy-1-(2-morpholin-4-ylethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9808674

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 18616890) is 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is NC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is STKPTIUCBNQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)13-1-3-14(4-2-13)28-15-5-7-16(8-6-15)29(26,27)18(17(23)25)9-11-24-12-10-18/h1-8,24H,9-12H2,(H2,23,25).
What are the key properties of 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18616890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).