N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide

C24H27F3N2O8S — CID 20620715

IUPACN-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCN(C(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
InChIKeyCLXRDURJLYSMHZ-UHFFFAOYSA-N
MW560.55 g/mol
LogP3.24
Rot. Bonds10

About N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620715) has the molecular formula C24H27F3N2O8S and a molecular weight of 560.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620715
Molecular FormulaC24H27F3N2O8S
Molecular Weight560.55 g/mol
Exact Mass560.14
IUPAC NameN-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCN(C(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
InChIKeyCLXRDURJLYSMHZ-UHFFFAOYSA-N
XLogP3.24
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-oxo-4-(4-(trifluoromethoxy)phenylamino)butoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 20620714
4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hydroxy-N1-methyl-N1-phenylpiperidine-1,4-dicarboxamide
CID 44414001
N-hydroxy-4-(4-(4-(4-methoxyphenylamino)-4-oxobutoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 54583712
N-hydroxy-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 46891172
4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620860
4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyloxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 22484408
N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2680047
N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 9851027
N-hydroxy-1-(4-methylphenyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9851028
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 9891724
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 9891725
1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 20620248

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620715) is N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide is CN(C(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is CLXRDURJLYSMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31).
What are the key properties of N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 560.55 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-[N-methyl-4-(trifluoromethoxy)anilino]-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).