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

C18H26F3N5O5S — CID 21068983

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3cnc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H26F3N5O5S/c19-18(20,21)3-1-2-14-12-23-15(13-22-14)25-6-8-26(9-7-25)32(29,30)17(16(27)24-28)4-10-31-11-5-17/h12-13,28H,1-11H2,(H,24,27)
InChIKeyFLGQFXRAVSAVGD-UHFFFAOYSA-N
MW481.50 g/mol
LogP0.87
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068983) has the molecular formula C18H26F3N5O5S and a molecular weight of 481.50 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068983
Molecular FormulaC18H26F3N5O5S
Molecular Weight481.50 g/mol
Exact Mass481.16
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCN(c3cnc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H26F3N5O5S/c19-18(20,21)3-1-2-14-12-23-15(13-22-14)25-6-8-26(9-7-25)32(29,30)17(16(27)24-28)4-10-31-11-5-17/h12-13,28H,1-11H2,(H,24,27)
InChIKeyFLGQFXRAVSAVGD-UHFFFAOYSA-N
XLogP0.87
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21068983) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCN(c3cnc(CCCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is FLGQFXRAVSAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O5S/c19-18(20,21)3-1-2-14-12-23-15(13-22-14)25-6-8-26(9-7-25)32(29,30)17(16(27)24-28)4-10-31-11-5-17/h12-13,28H,1-11H2,(H,24,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).