2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide

C19H19F5N2O4S — CID 10766622

IUPAC2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)
InChIKeyRAPHEYPJGISJNU-UHFFFAOYSA-N
MW466.43 g/mol
LogP3.49
Rot. Bonds8

About 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide

2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 10766622) has the molecular formula C19H19F5N2O4S and a molecular weight of 466.43 g/mol. Its IUPAC name is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
PubChem CID10766622
Molecular FormulaC19H19F5N2O4S
Molecular Weight466.43 g/mol
Exact Mass466.10
IUPAC Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)
InChIKeyRAPHEYPJGISJNU-UHFFFAOYSA-N
XLogP3.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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

Hydroxamate 17
CID 23645529
Hydroxamate 23
CID 23645530
N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-propionamide
CID 23645535
Hydroxamate 11
CID 10001582
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-4-methylvaleramide
CID 10792025
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]acetamide
CID 10837740
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]propionamide
CID 23645528
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-3-methylbutyramide
CID 23645531
N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
CID 155699554
Hydroxamate 44
CID 10027203
hydroxamate deriv. B9
CID 23645795
N~2~-(3-Aminobenzyl)-N~2~-[(4-Fluoro-3-Methylphenyl)sulfonyl]-N-Hydroxy-D-Alaninamide
CID 86277899

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (CID 10766622) is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide is CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is RAPHEYPJGISJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 466.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10766622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).