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

C26H24F3N3O6S — CID 22707832

IUPAC1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESNc1ccc(C(=O)N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H24F3N3O6S/c27-26(28,29)18-3-7-20(8-4-18)38-21-9-11-22(12-10-21)39(36,37)25(24(34)31-35)13-15-32(16-14-25)23(33)17-1-5-19(30)6-2-17/h1-12,35H,13-16,30H2,(H,31,34)
InChIKeySMGPSZRNCLYUDA-UHFFFAOYSA-N
MW563.55 g/mol
LogP4.03
Rot. Bonds6

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

1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 22707832) has the molecular formula C26H24F3N3O6S and a molecular weight of 563.55 g/mol. Its IUPAC name is 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID22707832
Molecular FormulaC26H24F3N3O6S
Molecular Weight563.55 g/mol
Exact Mass563.13
IUPAC Name1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESNc1ccc(C(=O)N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H24F3N3O6S/c27-26(28,29)18-3-7-20(8-4-18)38-21-9-11-22(12-10-21)39(36,37)25(24(34)31-35)13-15-32(16-14-25)23(33)17-1-5-19(30)6-2-17/h1-12,35H,13-16,30H2,(H,31,34)
InChIKeySMGPSZRNCLYUDA-UHFFFAOYSA-N
XLogP4.03
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.55
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 10141214
4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620757
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 24982010
1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxypiperidine-4-carboxamide
CID 44413983
N-[4-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 168281074
N-[4-[(4-benzoylpiperazin-1-yl)methyl]phenyl]-4-methoxybenzenesulfonamide
CID 168297784
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 90447709
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-4-phenoxybenzenesulfonamide
CID 172434102
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90447526
Ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 2349132
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 22707832) is 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is Nc1ccc(C(=O)N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SMGPSZRNCLYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O6S/c27-26(28,29)18-3-7-20(8-4-18)38-21-9-11-22(12-10-21)39(36,37)25(24(34)31-35)13-15-32(16-14-25)23(33)17-1-5-19(30)6-2-17/h1-12,35H,13-16,30H2,(H,31,34).
What are the key properties of 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 563.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobenzoyl)-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22707832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).