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

C10H13FN2O4S — CID 23217020

IUPAC[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
SMILESCC(=O)OC(c1ncccc1S(N)(=O)=O)C(C)F
InChIInChI=1S/C10H13FN2O4S/c1-6(11)10(17-7(2)14)9-8(18(12,15)16)4-3-5-13-9/h3-6,10H,1-2H3,(H2,12,15,16)
InChIKeyYFBKRFJSTZMERR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.69
Rot. Bonds4

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

[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate (PubChem CID 23217020) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate.

Molecular Properties

Compound Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
PubChem CID23217020
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
SMILESCC(=O)OC(c1ncccc1S(N)(=O)=O)C(C)F
InChIInChI=1S/C10H13FN2O4S/c1-6(11)10(17-7(2)14)9-8(18(12,15)16)4-3-5-13-9/h3-6,10H,1-2H3,(H2,12,15,16)
InChIKeyYFBKRFJSTZMERR-UHFFFAOYSA-N
XLogP0.69
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.69
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)propyl] acetate?
The IUPAC name of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate (CID 23217020) is [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate.
What is the SMILES notation for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
The canonical SMILES for [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate is CC(=O)OC(c1ncccc1S(N)(=O)=O)C(C)F.
What is the InChIKey of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
The InChIKey is YFBKRFJSTZMERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-6(11)10(17-7(2)14)9-8(18(12,15)16)4-3-5-13-9/h3-6,10H,1-2H3,(H2,12,15,16).
What are the key properties of [2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate?
[2-fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate has a molecular weight of 276.29 g/mol, XLogP of 0.69, 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)propyl] acetate is sourced from PubChem (CID 23217020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).