N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide

C13H21FN2O3S — CID 23228230

IUPACN-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21FN2O3S/c1-5-9(14)12(17)11-10(7-6-8-15-11)20(18,19)16-13(2,3)4/h6-9,12,16-17H,5H2,1-4H3
InChIKeyWOYUPZWHBZEJIL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.94
Rot. Bonds5

About N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide

N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide (PubChem CID 23228230) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
PubChem CID23228230
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21FN2O3S/c1-5-9(14)12(17)11-10(7-6-8-15-11)20(18,19)16-13(2,3)4/h6-9,12,16-17H,5H2,1-4H3
InChIKeyWOYUPZWHBZEJIL-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide (CID 23228230) is N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide is CCC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The InChIKey is WOYUPZWHBZEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-5-9(14)12(17)11-10(7-6-8-15-11)20(18,19)16-13(2,3)4/h6-9,12,16-17H,5H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 23228230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).