2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide

C17H19F9N2O4S — CID 10792025

IUPAC2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29)
InChIKeyCDVYEYANHXGLCX-UHFFFAOYSA-N
MW518.40 g/mol
LogP4.16
Rot. Bonds10

About 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide

2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide (PubChem CID 10792025) has the molecular formula C17H19F9N2O4S and a molecular weight of 518.40 g/mol. Its IUPAC name is 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide
PubChem CID10792025
Molecular FormulaC17H19F9N2O4S
Molecular Weight518.40 g/mol
Exact Mass518.09
IUPAC Name2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29)
InChIKeyCDVYEYANHXGLCX-UHFFFAOYSA-N
XLogP4.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide (CID 10792025) is 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide is CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide?
The InChIKey is CDVYEYANHXGLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29).
What are the key properties of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide?
2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide has a molecular weight of 518.40 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10792025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).