N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide

C19H27F3N4O5S — CID 21068981

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H27F3N4O5S/c20-19(21,22)5-1-2-15-3-4-16(23-14-15)25-8-10-26(11-9-25)32(29,30)18(17(27)24-28)6-12-31-13-7-18/h3-4,14,28H,1-2,5-13H2,(H,24,27)
InChIKeyQKUIFNPGURVPTC-UHFFFAOYSA-N
MW480.51 g/mol
LogP1.47
Rot. Bonds7

About N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068981) has the molecular formula C19H27F3N4O5S and a molecular weight of 480.51 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068981
Molecular FormulaC19H27F3N4O5S
Molecular Weight480.51 g/mol
Exact Mass480.17
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H27F3N4O5S/c20-19(21,22)5-1-2-15-3-4-16(23-14-15)25-8-10-26(11-9-25)32(29,30)18(17(27)24-28)6-12-31-13-7-18/h3-4,14,28H,1-2,5-13H2,(H,24,27)
InChIKeyQKUIFNPGURVPTC-UHFFFAOYSA-N
XLogP1.47
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21068981) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is QKUIFNPGURVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O5S/c20-19(21,22)5-1-2-15-3-4-16(23-14-15)25-8-10-26(11-9-25)32(29,30)18(17(27)24-28)6-12-31-13-7-18/h3-4,14,28H,1-2,5-13H2,(H,24,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 1.47, 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-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).