N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C9H8F3N3O6S — CID 91516340

IUPACN-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NO
InChIInChI=1S/C9H8F3N3O6S/c10-9(11,12)5-1-2-7(6(3-5)15(18)19)22(20,21)13-4-8(16)14-17/h1-3,13,17H,4H2,(H,14,16)
InChIKeyYILBVDWYYATHOQ-UHFFFAOYSA-N
MW343.24 g/mol
LogP0.40
Rot. Bonds5

About N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 91516340) has the molecular formula C9H8F3N3O6S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID91516340
Molecular FormulaC9H8F3N3O6S
Molecular Weight343.24 g/mol
Exact Mass343.01
IUPAC NameN-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NO
InChIInChI=1S/C9H8F3N3O6S/c10-9(11,12)5-1-2-7(6(3-5)15(18)19)22(20,21)13-4-8(16)14-17/h1-3,13,17H,4H2,(H,14,16)
InChIKeyYILBVDWYYATHOQ-UHFFFAOYSA-N
XLogP0.40
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
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-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 91516340) is N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])NO.
What is the InChIKey of N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is YILBVDWYYATHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O6S/c10-9(11,12)5-1-2-7(6(3-5)15(18)19)22(20,21)13-4-8(16)14-17/h1-3,13,17H,4H2,(H,14,16).
What are the key properties of N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 343.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 91516340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).