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

C22H24F3NO5S — CID 90908864

IUPACN-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)c1ccc(-c2ccc(CCCC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H24F3NO5S/c23-22(24,25)13-1-2-16-3-5-17(6-4-16)18-7-9-20(10-8-18)32(29,30)26(28)21(27)19-11-14-31-15-12-19/h3-10,19,28H,1-2,11-15H2
InChIKeyDALUFUJJGSTZHL-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.57
Rot. Bonds7

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

N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 90908864) has the molecular formula C22H24F3NO5S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID90908864
Molecular FormulaC22H24F3NO5S
Molecular Weight471.50 g/mol
Exact Mass471.13
IUPAC NameN-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)c1ccc(-c2ccc(CCCC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H24F3NO5S/c23-22(24,25)13-1-2-16-3-5-17(6-4-16)18-7-9-20(10-8-18)32(29,30)26(28)21(27)19-11-14-31-15-12-19/h3-10,19,28H,1-2,11-15H2
InChIKeyDALUFUJJGSTZHL-UHFFFAOYSA-N
XLogP4.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(4''-Fluoro-biphenyl-4-sulfonylamino)-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 9800763
N-hydroxy-4-[4-[4-(3,3,3-trifluoropropyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
CID 10004263
4-({4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl}sulfonyl)perhydro-2H-pyran-4-carbohydroxamic acid
CID 10004965
N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
CID 10006421
4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10026617
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10343570
4-[4-[2-fluoro-4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10414493
4-[4-[4-(3,3-difluorobutyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11744636
4-[4-[4-(4,4-difluorobutyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11744637
N-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]sulfonyloxane-4-carboxamide
CID 22485427
N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 54206665
4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623151

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide (CID 90908864) is N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide is O=C(C1CCOCC1)N(O)S(=O)(=O)c1ccc(-c2ccc(CCCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is DALUFUJJGSTZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5S/c23-22(24,25)13-1-2-16-3-5-17(6-4-16)18-7-9-20(10-8-18)32(29,30)26(28)21(27)19-11-14-31-15-12-19/h3-10,19,28H,1-2,11-15H2.
What are the key properties of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 90908864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).