4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C20H23F2N3O5S — CID 11540462

IUPAC4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCC(F)(F)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C20H23F2N3O5S/c1-19(21,22)7-6-15-12-24-17(13-23-15)14-2-4-16(5-3-14)31(28,29)20(18(26)25-27)8-10-30-11-9-20/h2-5,12-13,27H,6-11H2,1H3,(H,25,26)
InChIKeyNZEIXOZFMZLALU-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.56
Rot. Bonds7

About 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 11540462) has the molecular formula C20H23F2N3O5S and a molecular weight of 455.48 g/mol. Its IUPAC name is 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID11540462
Molecular FormulaC20H23F2N3O5S
Molecular Weight455.48 g/mol
Exact Mass455.13
IUPAC Name4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCC(F)(F)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C20H23F2N3O5S/c1-19(21,22)7-6-15-12-24-17(13-23-15)14-2-4-16(5-3-14)31(28,29)20(18(26)25-27)8-10-30-11-9-20/h2-5,12-13,27H,6-11H2,1H3,(H,25,26)
InChIKeyNZEIXOZFMZLALU-UHFFFAOYSA-N
XLogP2.56
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.56
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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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 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 11540462) is 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CC(F)(F)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is NZEIXOZFMZLALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O5S/c1-19(21,22)7-6-15-12-24-17(13-23-15)14-2-4-16(5-3-14)31(28,29)20(18(26)25-27)8-10-30-11-9-20/h2-5,12-13,27H,6-11H2,1H3,(H,25,26).
What are the key properties of 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 11540462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).