N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide

C24H27F3N4O4S — CID 132547259

IUPACN-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)
InChIKeyVLMFJLCDTHAPTK-UHFFFAOYSA-N
MW524.57 g/mol
LogP4.60
Rot. Bonds11

About N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide

N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide (PubChem CID 132547259) has the molecular formula C24H27F3N4O4S and a molecular weight of 524.57 g/mol. Its IUPAC name is N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide
PubChem CID132547259
Molecular FormulaC24H27F3N4O4S
Molecular Weight524.57 g/mol
Exact Mass524.17
IUPAC NameN-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)
InChIKeyVLMFJLCDTHAPTK-UHFFFAOYSA-N
XLogP4.60
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Celecoxib
CID 2662
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
1-(4-Aminosulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15h)
CID 118855482
N-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-1-phenylpentyl}-4-methylbenzenesulfonamide
CID 11842333
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 11842334
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 132547258
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134129876
N-[6-(hydroxyamino)-6-oxohexyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134129994
N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide
CID 134130010
N-[8-(hydroxyamino)-8-oxooctyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134130165

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide?
The IUPAC name of N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide (CID 132547259) is N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide?
The canonical SMILES for N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide?
The InChIKey is VLMFJLCDTHAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32).
What are the key properties of N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide?
N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide has a molecular weight of 524.57 g/mol, XLogP of 4.60, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide is sourced from PubChem (CID 132547259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).