N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide

C19H26F3N3O6S — CID 21068751

IUPACN-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(COCC(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)14-31-13-15-1-3-16(4-2-15)24-7-9-25(10-8-24)32(28,29)18(17(26)23-27)5-11-30-12-6-18/h1-4,27H,5-14H2,(H,23,26)
InChIKeyJDEUFEJMIULTDC-UHFFFAOYSA-N
MW481.49 g/mol
LogP1.27
Rot. Bonds7

About N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068751) has the molecular formula C19H26F3N3O6S and a molecular weight of 481.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068751
Molecular FormulaC19H26F3N3O6S
Molecular Weight481.49 g/mol
Exact Mass481.15
IUPAC NameN-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(COCC(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)14-31-13-15-1-3-16(4-2-15)24-7-9-25(10-8-24)32(28,29)18(17(26)23-27)5-11-30-12-6-18/h1-4,27H,5-14H2,(H,23,26)
InChIKeyJDEUFEJMIULTDC-UHFFFAOYSA-N
XLogP1.27
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068940
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 158229691
4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169427121
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068981
4-[4-(3-fluoro-4-phenylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068741
4-[4-(4-cyclobutyloxy-3-fluorophenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068900
N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159345731
N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068925
4-[4-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162313353

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21068751) is N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(COCC(F)(F)F)cc3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is JDEUFEJMIULTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O6S/c20-19(21,22)14-31-13-15-1-3-16(4-2-15)24-7-9-25(10-8-24)32(28,29)18(17(26)23-27)5-11-30-12-6-18/h1-4,27H,5-14H2,(H,23,26).
What are the key properties of N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).