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

C13H11F9N2O4S — CID 10837740

IUPAC2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C13H11F9N2O4S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(27,28)24(7-9(25)23-26)6-8-4-2-1-3-5-8/h1-5,26H,6-7H2,(H,23,25)
InChIKeyGBQQHIUTXSUOPE-UHFFFAOYSA-N
MW462.29 g/mol
LogP2.75
Rot. Bonds8

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

2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide (PubChem CID 10837740) has the molecular formula C13H11F9N2O4S and a molecular weight of 462.29 g/mol. Its IUPAC name is 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide
PubChem CID10837740
Molecular FormulaC13H11F9N2O4S
Molecular Weight462.29 g/mol
Exact Mass462.03
IUPAC Name2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C13H11F9N2O4S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(27,28)24(7-9(25)23-26)6-8-4-2-1-3-5-8/h1-5,26H,6-7H2,(H,23,25)
InChIKeyGBQQHIUTXSUOPE-UHFFFAOYSA-N
XLogP2.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.29
LogP ≤ 52.75
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-hydroxyacetamide?
The IUPAC name of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide (CID 10837740) is 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO.
What is the InChIKey of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide?
The InChIKey is GBQQHIUTXSUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F9N2O4S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(27,28)24(7-9(25)23-26)6-8-4-2-1-3-5-8/h1-5,26H,6-7H2,(H,23,25).
What are the key properties of 2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide?
2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxyacetamide has a molecular weight of 462.29 g/mol, XLogP of 2.75, 8 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-hydroxyacetamide is sourced from PubChem (CID 10837740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).