ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate

C9H11FN2O4S — CID 104821537

IUPACethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H11FN2O4S/c1-2-16-9(13)6-17(14,15)12-8-5-3-4-7(10)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyIWRKUZDIKOTKKV-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.53
Rot. Bonds5

About ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate

ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate (PubChem CID 104821537) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
PubChem CID104821537
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Nameethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H11FN2O4S/c1-2-16-9(13)6-17(14,15)12-8-5-3-4-7(10)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyIWRKUZDIKOTKKV-UHFFFAOYSA-N
XLogP0.53
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate (CID 104821537) is ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate?
The InChIKey is IWRKUZDIKOTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-2-16-9(13)6-17(14,15)12-8-5-3-4-7(10)11-8/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate?
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate has a molecular weight of 262.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate is sourced from PubChem (CID 104821537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).