2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide

C9H11N3O7S — CID 82914684

IUPAC2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide
SMILESCOc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C9H11N3O7S/c1-18-9-6(19-4-8(10)13)2-5(12(14)15)3-7(9)20(11,16)17/h2-3H,4H2,1H3,(H2,10,13)(H2,11,16,17)
InChIKeyLRJJOVIFCPWVJH-UHFFFAOYSA-N
MW305.27 g/mol
LogP-0.89
Rot. Bonds6

About 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide

2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide (PubChem CID 82914684) has the molecular formula C9H11N3O7S and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide
PubChem CID82914684
Molecular FormulaC9H11N3O7S
Molecular Weight305.27 g/mol
Exact Mass305.03
IUPAC Name2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide
SMILESCOc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C9H11N3O7S/c1-18-9-6(19-4-8(10)13)2-5(12(14)15)3-7(9)20(11,16)17/h2-3H,4H2,1H3,(H2,10,13)(H2,11,16,17)
InChIKeyLRJJOVIFCPWVJH-UHFFFAOYSA-N
XLogP-0.89
TPSA164.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonamide
CID 82913620
3-(2-fluoroethoxy)-2-methoxy-5-nitrobenzenesulfonamide
CID 80695759
3-[(E)-3-chloroprop-2-enoxy]-2-methoxy-5-nitrobenzenesulfonamide
CID 82915272
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-methoxy-3-(2-methylidenebutoxy)-5-nitrobenzenesulfonyl chloride
CID 82913449
3-methyl-2-(2-methylprop-2-enoxy)-5-nitrobenzenesulfonamide
CID 113369572
2-methoxy-3-(3-methylbutoxy)-5-nitrobenzenesulfonyl chloride
CID 43247093
N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913043
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
3-fluoro-2-(2-methylidenebutoxy)-5-nitrobenzenesulfonamide
CID 82915285
2-(3-chloro-2-methylprop-2-enoxy)-3-methyl-5-nitrobenzenesulfonamide
CID 106439097
3-fluoro-2-(3-methylbut-3-enoxy)-5-nitrobenzenesulfonamide
CID 114473027

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide (CID 82914684) is 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide is COc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide?
The InChIKey is LRJJOVIFCPWVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O7S/c1-18-9-6(19-4-8(10)13)2-5(12(14)15)3-7(9)20(11,16)17/h2-3H,4H2,1H3,(H2,10,13)(H2,11,16,17).
What are the key properties of 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide?
2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide has a molecular weight of 305.27 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitro-3-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82914684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).