2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide

C8H8ClN3O6S — CID 112673489

IUPAC2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide
SMILESNC(=O)CONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClN3O6S/c9-6-2-1-5(3-7(6)12(14)15)19(16,17)11-18-4-8(10)13/h1-3,11H,4H2,(H2,10,13)
InChIKeyQPXOZJQNWZXDHJ-UHFFFAOYSA-N
MW309.69 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide

2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide (PubChem CID 112673489) has the molecular formula C8H8ClN3O6S and a molecular weight of 309.69 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide
PubChem CID112673489
Molecular FormulaC8H8ClN3O6S
Molecular Weight309.69 g/mol
Exact Mass308.98
IUPAC Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide
SMILESNC(=O)CONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClN3O6S/c9-6-2-1-5(3-7(6)12(14)15)19(16,17)11-18-4-8(10)13/h1-3,11H,4H2,(H2,10,13)
InChIKeyQPXOZJQNWZXDHJ-UHFFFAOYSA-N
XLogP-0.06
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.69
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide
CID 115992099
[(4-chloro-3-nitrophenyl)sulfonylamino]thiourea
CID 65214693
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60661220
[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
CID 22179300
ethyl 2-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 61499300
4-[[(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 108783391
2-[(2,5-dichlorophenyl)sulfonylamino]oxyacetamide
CID 112673471
3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 7062896
4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
CID 112673521
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide (CID 112673489) is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide is NC(=O)CONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide?
The InChIKey is QPXOZJQNWZXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O6S/c9-6-2-1-5(3-7(6)12(14)15)19(16,17)11-18-4-8(10)13/h1-3,11H,4H2,(H2,10,13).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide?
2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide has a molecular weight of 309.69 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 112673489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).