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

C15H23FN2O4S — CID 70194181

IUPAC[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate
SMILESCCC(F)C(OC(C)=O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23FN2O4S/c1-6-11(16)14(22-10(2)19)13-12(8-7-9-17-13)23(20,21)18-15(3,4)5/h7-9,11,14,18H,6H2,1-5H3
InChIKeyYIRSRMBDGNQBSQ-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.51
Rot. Bonds6

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

[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate (PubChem CID 70194181) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate.

Molecular Properties

Compound Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate
PubChem CID70194181
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate
SMILESCCC(F)C(OC(C)=O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23FN2O4S/c1-6-11(16)14(22-10(2)19)13-12(8-7-9-17-13)23(20,21)18-15(3,4)5/h7-9,11,14,18H,6H2,1-5H3
InChIKeyYIRSRMBDGNQBSQ-UHFFFAOYSA-N
XLogP2.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.51
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-fluorobutyl] acetate?
The IUPAC name of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate (CID 70194181) is [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate.
What is the SMILES notation for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate?
The canonical SMILES for [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate is CCC(F)C(OC(C)=O)c1ncccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate?
The InChIKey is YIRSRMBDGNQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-6-11(16)14(22-10(2)19)13-12(8-7-9-17-13)23(20,21)18-15(3,4)5/h7-9,11,14,18H,6H2,1-5H3.
What are the key properties of [1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate?
[1-[3-(tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate has a molecular weight of 346.42 g/mol, XLogP of 2.51, 6 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-fluorobutyl] acetate is sourced from PubChem (CID 70194181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).