methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate

C10H11FN2O6S — CID 22091277

IUPACmethyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate
SMILESCOC(=O)C(CS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FN2O6S/c1-19-10(14)8(5-20(12,17)18)7-3-2-6(13(15)16)4-9(7)11/h2-4,8H,5H2,1H3,(H2,12,17,18)
InChIKeyZFFXLQZNZVKJKR-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.28
Rot. Bonds5

About methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate

methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate (PubChem CID 22091277) has the molecular formula C10H11FN2O6S and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate
PubChem CID22091277
Molecular FormulaC10H11FN2O6S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Namemethyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate
SMILESCOC(=O)C(CS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FN2O6S/c1-19-10(14)8(5-20(12,17)18)7-3-2-6(13(15)16)4-9(7)11/h2-4,8H,5H2,1H3,(H2,12,17,18)
InChIKeyZFFXLQZNZVKJKR-UHFFFAOYSA-N
XLogP0.28
TPSA129.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
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

Methyl 2-(4-nitrophenyl)propionate
CID 3016521
Ethyl 2-(4-nitrophenyl)butanoate
CID 237528
Ethyl 2-(4-nitrophenyl)propionate
CID 3016550
Ethyl 2-fluoro-2-(4-nitrophenyl)propanoate
CID 155932320
Ethyl 2-fluoro-2-(3-fluoro-4-nitrophenyl)propanoate
CID 155932528
Methyl 2-methyl-2-(4-nitrophenyl)propanoate
CID 11299024
Methyl 2-(3-fluoro-4-nitrophenyl)acetate
CID 10443188
Ethyl 2-(3-fluoro-4-nitrophenyl)propanoate
CID 12879863
2-(3-Fluoro-4-nitrophenyl)propanoic acid
CID 13065229
Methyl 2-(3-fluoro-4-nitrophenyl)propanoate
CID 13213768
Tert-butyl 2-(3-fluoro-4-nitrophenyl)propanoate
CID 13213769
2-(2-Fluoro-4-nitrophenyl)propanoic acid
CID 13758016

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate?
The IUPAC name of methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate (CID 22091277) is methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate.
What is the SMILES notation for methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate?
The canonical SMILES for methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate is COC(=O)C(CS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate?
The InChIKey is ZFFXLQZNZVKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O6S/c1-19-10(14)8(5-20(12,17)18)7-3-2-6(13(15)16)4-9(7)11/h2-4,8H,5H2,1H3,(H2,12,17,18).
What are the key properties of methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate?
methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate has a molecular weight of 306.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-4-nitrophenyl)-3-sulfamoylpropanoate is sourced from PubChem (CID 22091277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).