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

C18H17F5N2O4S — CID 23645530

IUPAC2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
InChIKeyXFNJKSWXHKYCFN-UHFFFAOYSA-N
MW452.40 g/mol
LogP3.10
Rot. Bonds7

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

2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 23645530) has the molecular formula C18H17F5N2O4S and a molecular weight of 452.40 g/mol. Its IUPAC name is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID23645530
Molecular FormulaC18H17F5N2O4S
Molecular Weight452.40 g/mol
Exact Mass452.08
IUPAC Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
InChIKeyXFNJKSWXHKYCFN-UHFFFAOYSA-N
XLogP3.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 53.10
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
N-Hydroxy-2-[(2-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-propionamide
CID 23645533
N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-propionamide
CID 23645535
Hydroxamate 29
CID 10766622
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. B22
CID 10455715

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 23645530) is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)C(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-3-methylbutanamide?
The InChIKey is XFNJKSWXHKYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 452.40 g/mol, XLogP of 3.10, 7 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-3-methylbutanamide is sourced from PubChem (CID 23645530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).