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

C19H18F5N3O6S — CID 58623180

IUPACN-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C19H18F5N3O6S/c20-18(21,19(22,23)24)11-33-15-10-25-14(9-26-15)12-1-3-13(4-2-12)34(30,31)17(16(28)27-29)5-7-32-8-6-17/h1-4,9-10,29H,5-8,11H2,(H,27,28)
InChIKeyOSDGQPDWKJELEU-UHFFFAOYSA-N
MW511.43 g/mol
LogP2.55
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 58623180) has the molecular formula C19H18F5N3O6S and a molecular weight of 511.43 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID58623180
Molecular FormulaC19H18F5N3O6S
Molecular Weight511.43 g/mol
Exact Mass511.08
IUPAC NameN-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C19H18F5N3O6S/c20-18(21,19(22,23)24)11-33-15-10-25-14(9-26-15)12-1-3-13(4-2-12)34(30,31)17(16(28)27-29)5-7-32-8-6-17/h1-4,9-10,29H,5-8,11H2,(H,27,28)
InChIKeyOSDGQPDWKJELEU-UHFFFAOYSA-N
XLogP2.55
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.43
LogP ≤ 52.55
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 58623180) is N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is OSDGQPDWKJELEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O6S/c20-18(21,19(22,23)24)11-33-15-10-25-14(9-26-15)12-1-3-13(4-2-12)34(30,31)17(16(28)27-29)5-7-32-8-6-17/h1-4,9-10,29H,5-8,11H2,(H,27,28).
What are the key properties of N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 511.43 g/mol, XLogP of 2.55, 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-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 58623180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).