[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate

C9H11FN2O4S — CID 19377392

IUPAC[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate
SMILESCC(=O)OC(CF)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O4S/c1-6(13)16-7(5-10)9-8(17(11,14)15)3-2-4-12-9/h2-4,7H,5H2,1H3,(H2,11,14,15)
InChIKeyWZZCEZWBAMKSKR-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.30
Rot. Bonds4

About [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate

[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate (PubChem CID 19377392) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate.

Molecular Properties

Compound Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate
PubChem CID19377392
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate
SMILESCC(=O)OC(CF)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O4S/c1-6(13)16-7(5-10)9-8(17(11,14)15)3-2-4-12-9/h2-4,7H,5H2,1H3,(H2,11,14,15)
InChIKeyWZZCEZWBAMKSKR-UHFFFAOYSA-N
XLogP0.30
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate?
The IUPAC name of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate (CID 19377392) is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate.
What is the SMILES notation for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate?
The canonical SMILES for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate is CC(=O)OC(CF)c1ncccc1S(N)(=O)=O.
What is the InChIKey of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate?
The InChIKey is WZZCEZWBAMKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-6(13)16-7(5-10)9-8(17(11,14)15)3-2-4-12-9/h2-4,7H,5H2,1H3,(H2,11,14,15).
What are the key properties of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate?
[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate has a molecular weight of 262.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)ethyl] acetate is sourced from PubChem (CID 19377392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).