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

C14H21FN2O4S — CID 23217021

IUPAC[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate
SMILESCC(=O)OC(c1ncccc1S(=O)(=O)NC(C)(C)C)C(C)F
InChIInChI=1S/C14H21FN2O4S/c1-9(15)13(21-10(2)18)12-11(7-6-8-16-12)22(19,20)17-14(3,4)5/h6-9,13,17H,1-5H3
InChIKeyGYAQPZFBPSRMCD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.12
Rot. Bonds5

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

[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate (PubChem CID 23217021) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate.

Molecular Properties

Compound Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate
PubChem CID23217021
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate
SMILESCC(=O)OC(c1ncccc1S(=O)(=O)NC(C)(C)C)C(C)F
InChIInChI=1S/C14H21FN2O4S/c1-9(15)13(21-10(2)18)12-11(7-6-8-16-12)22(19,20)17-14(3,4)5/h6-9,13,17H,1-5H3
InChIKeyGYAQPZFBPSRMCD-UHFFFAOYSA-N
XLogP2.12
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.12
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-fluoropropyl] acetate?
The IUPAC name of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate (CID 23217021) is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate.
What is the SMILES notation for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate?
The canonical SMILES for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate is CC(=O)OC(c1ncccc1S(=O)(=O)NC(C)(C)C)C(C)F.
What is the InChIKey of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate?
The InChIKey is GYAQPZFBPSRMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-9(15)13(21-10(2)18)12-11(7-6-8-16-12)22(19,20)17-14(3,4)5/h6-9,13,17H,1-5H3.
What are the key properties of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate?
[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate has a molecular weight of 332.40 g/mol, XLogP of 2.12, 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-fluoropropyl] acetate is sourced from PubChem (CID 23217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).