N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide

C13H10F9N3O6S — CID 10529602

IUPACN-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
InChIKeyUGMRVUAZVAXFHK-UHFFFAOYSA-N
MW507.29 g/mol
LogP2.66
Rot. Bonds9

About N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide

N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide (PubChem CID 10529602) has the molecular formula C13H10F9N3O6S and a molecular weight of 507.29 g/mol. Its IUPAC name is N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide
PubChem CID10529602
Molecular FormulaC13H10F9N3O6S
Molecular Weight507.29 g/mol
Exact Mass507.01
IUPAC NameN-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
InChIKeyUGMRVUAZVAXFHK-UHFFFAOYSA-N
XLogP2.66
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide (CID 10529602) is N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO.
What is the InChIKey of N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide?
The InChIKey is UGMRVUAZVAXFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26).
What are the key properties of N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide?
N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide has a molecular weight of 507.29 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetamide is sourced from PubChem (CID 10529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).