2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide

C9H10FN3O6S — CID 82913819

IUPAC2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O6S/c1-12-9(14)4-19-7-2-5(10)8(20(11,17)18)3-6(7)13(15)16/h2-3H,4H2,1H3,(H,12,14)(H2,11,17,18)
InChIKeyAWEOKBXNRSYBCQ-UHFFFAOYSA-N
MW307.26 g/mol
LogP-0.49
Rot. Bonds5

About 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide

2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide (PubChem CID 82913819) has the molecular formula C9H10FN3O6S and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
PubChem CID82913819
Molecular FormulaC9H10FN3O6S
Molecular Weight307.26 g/mol
Exact Mass307.03
IUPAC Name2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O6S/c1-12-9(14)4-19-7-2-5(10)8(20(11,17)18)3-6(7)13(15)16/h2-3H,4H2,1H3,(H,12,14)(H2,11,17,18)
InChIKeyAWEOKBXNRSYBCQ-UHFFFAOYSA-N
XLogP-0.49
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 5-0.49
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'}

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Related Compounds

2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
CID 80695092
2-methyl-4-(2-methylprop-2-enoxy)-5-nitrobenzenesulfonamide
CID 82921708
2-fluoro-5-nitro-4-pentan-2-yloxybenzenesulfonamide
CID 107896255
1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate
CID 176611679
2-methyl-5-nitro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43342373
2-fluoro-4-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonyl chloride
CID 82910135
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55529140
methyl 3-(4-bromo-5-fluoro-2-nitrophenoxy)-2-(methylamino)propanoate
CID 103484044
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
CID 103483313
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide (CID 82913819) is 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide is CNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide?
The InChIKey is AWEOKBXNRSYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O6S/c1-12-9(14)4-19-7-2-5(10)8(20(11,17)18)3-6(7)13(15)16/h2-3H,4H2,1H3,(H,12,14)(H2,11,17,18).
What are the key properties of 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide?
2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide has a molecular weight of 307.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide is sourced from PubChem (CID 82913819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).