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

C18H28Cl2F3N5O5S — CID 162310772

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3cnc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H26F3N5O5S.2ClH/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);2*1H
InChIKeyFMUMBRPCEVROFI-UHFFFAOYSA-N
MW554.42 g/mol
LogP1.71
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride (PubChem CID 162310772) has the molecular formula C18H28Cl2F3N5O5S and a molecular weight of 554.42 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride
PubChem CID162310772
Molecular FormulaC18H28Cl2F3N5O5S
Molecular Weight554.42 g/mol
Exact Mass553.11
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3cnc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H26F3N5O5S.2ClH/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);2*1H
InChIKeyFMUMBRPCEVROFI-UHFFFAOYSA-N
XLogP1.71
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.42
LogP ≤ 51.71
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;dihydrochloride 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;dihydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride (CID 162310772) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is FMUMBRPCEVROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O5S.2ClH/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);2*1H.
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;dihydrochloride has a molecular weight of 554.42 g/mol, XLogP of 1.71, 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;dihydrochloride is sourced from PubChem (CID 162310772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).