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

C16H13F5N2O4S — CID 23645529

IUPAC2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
InChIKeySNYKGOMEURTYMK-UHFFFAOYSA-N
MW424.35 g/mol
LogP2.47
Rot. Bonds6

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

2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645529) has the molecular formula C16H13F5N2O4S and a molecular weight of 424.35 g/mol. Its IUPAC name is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645529
Molecular FormulaC16H13F5N2O4S
Molecular Weight424.35 g/mol
Exact Mass424.05
IUPAC Name2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
InChIKeySNYKGOMEURTYMK-UHFFFAOYSA-N
XLogP2.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 52.47
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 23
CID 23645530
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-hydroxypropanamide?
The IUPAC name of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645529) is 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide is 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-hydroxypropanamide?
The InChIKey is SNYKGOMEURTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24).
What are the key properties of 2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[benzyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 424.35 g/mol, XLogP of 2.47, 6 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-hydroxypropanamide is sourced from PubChem (CID 23645529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).