2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide

C7H7BrClN3O4S — CID 107856770

IUPAC2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
SMILESNC(=O)CONS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C7H7BrClN3O4S/c8-4-1-5(7(9)11-2-4)17(14,15)12-16-3-6(10)13/h1-2,12H,3H2,(H2,10,13)
InChIKeyOKMHLCUHVINUSH-UHFFFAOYSA-N
MW344.57 g/mol
LogP0.19
Rot. Bonds5

About 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide

2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide (PubChem CID 107856770) has the molecular formula C7H7BrClN3O4S and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
PubChem CID107856770
Molecular FormulaC7H7BrClN3O4S
Molecular Weight344.57 g/mol
Exact Mass342.90
IUPAC Name2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
SMILESNC(=O)CONS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C7H7BrClN3O4S/c8-4-1-5(7(9)11-2-4)17(14,15)12-16-3-6(10)13/h1-2,12H,3H2,(H2,10,13)
InChIKeyOKMHLCUHVINUSH-UHFFFAOYSA-N
XLogP0.19
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide (CID 107856770) is 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide is NC(=O)CONS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide?
The InChIKey is OKMHLCUHVINUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3O4S/c8-4-1-5(7(9)11-2-4)17(14,15)12-16-3-6(10)13/h1-2,12H,3H2,(H2,10,13).
What are the key properties of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide?
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide has a molecular weight of 344.57 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 107856770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).