N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C26H22F3N3O8S — CID 22707807

IUPACN-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H22F3N3O8S/c27-26(28,29)18-3-7-20(8-4-18)40-21-9-11-22(12-10-21)41(38,39)25(24(34)30-35)13-15-31(16-14-25)23(33)17-1-5-19(6-2-17)32(36)37/h1-12,35H,13-16H2,(H,30,34)
InChIKeyDVMUIHPYWZQUCU-UHFFFAOYSA-N
MW593.54 g/mol
LogP4.36
Rot. Bonds7

About N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 22707807) has the molecular formula C26H22F3N3O8S and a molecular weight of 593.54 g/mol. Its IUPAC name is N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID22707807
Molecular FormulaC26H22F3N3O8S
Molecular Weight593.54 g/mol
Exact Mass593.11
IUPAC NameN-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H22F3N3O8S/c27-26(28,29)18-3-7-20(8-4-18)40-21-9-11-22(12-10-21)41(38,39)25(24(34)30-35)13-15-31(16-14-25)23(33)17-1-5-19(6-2-17)32(36)37/h1-12,35H,13-16H2,(H,30,34)
InChIKeyDVMUIHPYWZQUCU-UHFFFAOYSA-N
XLogP4.36
TPSA156.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620757
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-4-phenoxybenzenesulfonamide
CID 172434102
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-1-(4-methylphenyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 20735245
N-hydroxy-4[[4-(4-trifluoromethylphenoxy)phenyl]-sulfonyl]-1-(2-fluorophenylcarbonyl)-4-piperidinecarboxamide
CID 22707808
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707809
N-hydroxy-4-[[4-(4-trifluoromethylphenoxy)phenyl]sulfonyl]-1-(4-aminophenylcarbonyl)-4-piperidinecarboxamide
CID 22707832
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707837
1-(4-Aminobenzoyl)-2-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 70089988
N-hydroxy-N-(4-methylphenyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 88029152
N-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 88142744

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 22707807) is N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is DVMUIHPYWZQUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O8S/c27-26(28,29)18-3-7-20(8-4-18)40-21-9-11-22(12-10-21)41(38,39)25(24(34)30-35)13-15-31(16-14-25)23(33)17-1-5-19(6-2-17)32(36)37/h1-12,35H,13-16H2,(H,30,34).
What are the key properties of N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 593.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-nitrobenzoyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22707807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).