2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide

C10H13N3O6S — CID 115992099

IUPAC2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide
SMILESCc1cc(S(=O)(=O)NOCC(N)=O)cc([N+](=O)[O-])c1C
InChIInChI=1S/C10H13N3O6S/c1-6-3-8(4-9(7(6)2)13(15)16)20(17,18)12-19-5-10(11)14/h3-4,12H,5H2,1-2H3,(H2,11,14)
InChIKeyVUOCKSDUVURBIB-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.09
Rot. Bonds6

About 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide

2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide (PubChem CID 115992099) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide
PubChem CID115992099
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide
SMILESCc1cc(S(=O)(=O)NOCC(N)=O)cc([N+](=O)[O-])c1C
InChIInChI=1S/C10H13N3O6S/c1-6-3-8(4-9(7(6)2)13(15)16)20(17,18)12-19-5-10(11)14/h3-4,12H,5H2,1-2H3,(H2,11,14)
InChIKeyVUOCKSDUVURBIB-UHFFFAOYSA-N
XLogP-0.09
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.09
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-[(3,4-dimethyl-5-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

N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 60700382
2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide
CID 112673489
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60661220
3-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674294
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
CID 112673521
3,4-dimethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 114616487
N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 7574341
3-chloro-N-(2-methoxyethoxy)-4-methyl-5-nitrobenzenesulfonamide
CID 82715055
3,4-dimethyl-N-[2-(methylamino)ethyl]-5-nitrobenzenesulfonamide
CID 62659310
3,4-dimethyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 60681266
N-(4-hydroxy-2-methylbutyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 66108645
N-(2-amino-2-cyclopropylethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 115301303

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide (CID 115992099) is 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide is Cc1cc(S(=O)(=O)NOCC(N)=O)cc([N+](=O)[O-])c1C.
What is the InChIKey of 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide?
The InChIKey is VUOCKSDUVURBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c1-6-3-8(4-9(7(6)2)13(15)16)20(17,18)12-19-5-10(11)14/h3-4,12H,5H2,1-2H3,(H2,11,14).
What are the key properties of 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide?
2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide has a molecular weight of 303.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 115992099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).