[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate

C13H19FN2O4S — CID 19377396

IUPAC[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate
SMILESCC(=O)OC(CF)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H19FN2O4S/c1-9(17)20-10(8-14)12-11(6-5-7-15-12)21(18,19)16-13(2,3)4/h5-7,10,16H,8H2,1-4H3
InChIKeyFXYQILDMVHFFAQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.73
Rot. Bonds5

About [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate

[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate (PubChem CID 19377396) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate.

Molecular Properties

Compound Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate
PubChem CID19377396
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate
SMILESCC(=O)OC(CF)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H19FN2O4S/c1-9(17)20-10(8-14)12-11(6-5-7-15-12)21(18,19)16-13(2,3)4/h5-7,10,16H,8H2,1-4H3
InChIKeyFXYQILDMVHFFAQ-UHFFFAOYSA-N
XLogP1.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate?
The IUPAC name of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate (CID 19377396) is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate.
What is the SMILES notation for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate?
The canonical SMILES for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate is CC(=O)OC(CF)c1ncccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate?
The InChIKey is FXYQILDMVHFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-9(17)20-10(8-14)12-11(6-5-7-15-12)21(18,19)16-13(2,3)4/h5-7,10,16H,8H2,1-4H3.
What are the key properties of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate?
[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate has a molecular weight of 318.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate is sourced from PubChem (CID 19377396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).