N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

C21H23F3N2O5S — CID 10412528

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H23F3N2O5S/c22-21(23,24)9-1-2-15-3-8-18(25-14-15)16-4-6-17(7-5-16)32(29,30)20(19(27)26-28)10-12-31-13-11-20/h3-8,14,28H,1-2,9-13H2,(H,26,27)
InChIKeyUXJZJHNOPSIBHO-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.46
Rot. Bonds7

About N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10412528) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10412528
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H23F3N2O5S/c22-21(23,24)9-1-2-15-3-8-18(25-14-15)16-4-6-17(7-5-16)32(29,30)20(19(27)26-28)10-12-31-13-11-20/h3-8,14,28H,1-2,9-13H2,(H,26,27)
InChIKeyUXJZJHNOPSIBHO-UHFFFAOYSA-N
XLogP3.46
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469004
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
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-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (CID 10412528) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is UXJZJHNOPSIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c22-21(23,24)9-1-2-15-3-8-18(25-14-15)16-4-6-17(7-5-16)32(29,30)20(19(27)26-28)10-12-31-13-11-20/h3-8,14,28H,1-2,9-13H2,(H,26,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10412528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).