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

C11H15FN2O5S — CID 23508749

IUPAC[2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
SMILESCOC(OC(C)=O)(c1ncccc1S(N)(=O)=O)C(C)F
InChIInChI=1S/C11H15FN2O5S/c1-7(12)11(18-3,19-8(2)15)10-9(20(13,16)17)5-4-6-14-10/h4-7H,1-3H3,(H2,13,16,17)
InChIKeyANYCVGVKOHCTCW-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.45
Rot. Bonds5

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

[2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate (PubChem CID 23508749) has the molecular formula C11H15FN2O5S and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate.

Molecular Properties

Compound Name[2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
PubChem CID23508749
Molecular FormulaC11H15FN2O5S
Molecular Weight306.32 g/mol
Exact Mass306.07
IUPAC Name[2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
SMILESCOC(OC(C)=O)(c1ncccc1S(N)(=O)=O)C(C)F
InChIInChI=1S/C11H15FN2O5S/c1-7(12)11(18-3,19-8(2)15)10-9(20(13,16)17)5-4-6-14-10/h4-7H,1-3H3,(H2,13,16,17)
InChIKeyANYCVGVKOHCTCW-UHFFFAOYSA-N
XLogP0.45
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
The IUPAC name of [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate (CID 23508749) is [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate.
What is the SMILES notation for [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
The canonical SMILES for [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate is COC(OC(C)=O)(c1ncccc1S(N)(=O)=O)C(C)F.
What is the InChIKey of [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
The InChIKey is ANYCVGVKOHCTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S/c1-7(12)11(18-3,19-8(2)15)10-9(20(13,16)17)5-4-6-14-10/h4-7H,1-3H3,(H2,13,16,17).
What are the key properties of [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
[2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate has a molecular weight of 306.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate is sourced from PubChem (CID 23508749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).