N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C16H14F3N3O6S — CID 10365560

IUPACN-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23)
InChIKeyFEWWJFPIJXNCFE-UHFFFAOYSA-N
MW433.36 g/mol
LogP2.31
Rot. Bonds7

About N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 10365560) has the molecular formula C16H14F3N3O6S and a molecular weight of 433.36 g/mol. Its IUPAC name is N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID10365560
Molecular FormulaC16H14F3N3O6S
Molecular Weight433.36 g/mol
Exact Mass433.06
IUPAC NameN-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23)
InChIKeyFEWWJFPIJXNCFE-UHFFFAOYSA-N
XLogP2.31
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 52.31
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 10365560) is N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO.
What is the InChIKey of N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is FEWWJFPIJXNCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23).
What are the key properties of N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-hydroxy-2-[(4-nitrophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 433.36 g/mol, XLogP of 2.31, 7 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-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 10365560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).