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

C11H15FN2O4S — CID 23228231

IUPAC[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate
SMILESCCC(F)C(OC(C)=O)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O4S/c1-3-8(12)11(18-7(2)15)10-9(19(13,16)17)5-4-6-14-10/h4-6,8,11H,3H2,1-2H3,(H2,13,16,17)
InChIKeyJYISSPUTQAGERH-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds5

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

[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate (PubChem CID 23228231) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate.

Molecular Properties

Compound Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate
PubChem CID23228231
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate
SMILESCCC(F)C(OC(C)=O)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O4S/c1-3-8(12)11(18-7(2)15)10-9(19(13,16)17)5-4-6-14-10/h4-6,8,11H,3H2,1-2H3,(H2,13,16,17)
InChIKeyJYISSPUTQAGERH-UHFFFAOYSA-N
XLogP1.08
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate?
The IUPAC name of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate (CID 23228231) is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate.
What is the SMILES notation for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate?
The canonical SMILES for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate is CCC(F)C(OC(C)=O)c1ncccc1S(N)(=O)=O.
What is the InChIKey of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate?
The InChIKey is JYISSPUTQAGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-3-8(12)11(18-7(2)15)10-9(19(13,16)17)5-4-6-14-10/h4-6,8,11H,3H2,1-2H3,(H2,13,16,17).
What are the key properties of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate?
[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate has a molecular weight of 290.32 g/mol, XLogP of 1.08, 5 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)butyl] acetate is sourced from PubChem (CID 23228231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).