N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

C20H20F5N3O5S — CID 11613634

IUPACN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C20H20F5N3O5S/c21-19(22,20(23,24)25)6-5-14-11-27-16(12-26-14)13-1-3-15(4-2-13)34(31,32)18(17(29)28-30)7-9-33-10-8-18/h1-4,11-12,30H,5-10H2,(H,28,29)
InChIKeyZHFQJYITCAGONK-UHFFFAOYSA-N
MW509.45 g/mol
LogP3.10
Rot. Bonds7

About N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 11613634) has the molecular formula C20H20F5N3O5S and a molecular weight of 509.45 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID11613634
Molecular FormulaC20H20F5N3O5S
Molecular Weight509.45 g/mol
Exact Mass509.10
IUPAC NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C20H20F5N3O5S/c21-19(22,20(23,24)25)6-5-14-11-27-16(12-26-14)13-1-3-15(4-2-13)34(31,32)18(17(29)28-30)7-9-33-10-8-18/h1-4,11-12,30H,5-10H2,(H,28,29)
InChIKeyZHFQJYITCAGONK-UHFFFAOYSA-N
XLogP3.10
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.45
LogP ≤ 53.10
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 9916298
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10005329
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10007588
N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
4-[4-[5-(3,3-difluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10027315
N-hydroxy-4-methoxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10075880
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10098643
1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10098988
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10255936
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10256856
N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)pyridin-3-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10324210
5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide
CID 10324941

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 11613634) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is ZHFQJYITCAGONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O5S/c21-19(22,20(23,24)25)6-5-14-11-27-16(12-26-14)13-1-3-15(4-2-13)34(31,32)18(17(29)28-30)7-9-33-10-8-18/h1-4,11-12,30H,5-10H2,(H,28,29).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 509.45 g/mol, XLogP of 3.10, 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-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 11613634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).