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

C21H23F3N2O6S — CID 10390777

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OCCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H23F3N2O6S/c22-21(23,24)8-1-11-32-16-4-7-18(25-14-16)15-2-5-17(6-3-15)33(29,30)20(19(27)26-28)9-12-31-13-10-20/h2-7,14,28H,1,8-13H2,(H,26,27)
InChIKeySNVSPGDQMARDTL-UHFFFAOYSA-N
MW488.48 g/mol
LogP3.30
Rot. Bonds8

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

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10390777) has the molecular formula C21H23F3N2O6S and a molecular weight of 488.48 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10390777
Molecular FormulaC21H23F3N2O6S
Molecular Weight488.48 g/mol
Exact Mass488.12
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OCCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H23F3N2O6S/c22-21(23,24)8-1-11-32-16-4-7-18(25-14-16)15-2-5-17(6-3-15)33(29,30)20(19(27)26-28)9-12-31-13-10-20/h2-7,14,28H,1,8-13H2,(H,26,27)
InChIKeySNVSPGDQMARDTL-UHFFFAOYSA-N
XLogP3.30
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
CID 20735364
1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide
CID 10277568
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
[4-[3-(Fluoromethoxy)-2-pyridinyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168289625
N-(4-sulfamoylphenyl)-2-[[2-[4-(trifluoromethyl)phenyl]-3-pyridyl]oxy]acetamide
CID 129905519
N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9807174
N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9808159
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9871829
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 9894315
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10096121
2-[4-(Methylsulfonyl)phenyl]-6-[(2-pyridinylmethyl)oxy]-4-(trifluoromethyl)pyridine
CID 10341395

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (CID 10390777) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OCCCC(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is SNVSPGDQMARDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O6S/c22-21(23,24)8-1-11-32-16-4-7-18(25-14-16)15-2-5-17(6-3-15)33(29,30)20(19(27)26-28)9-12-31-13-10-20/h2-7,14,28H,1,8-13H2,(H,26,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 488.48 g/mol, XLogP of 3.30, 8 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-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10390777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).