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

C12H19FN2O3S — CID 22648719

IUPACN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
SMILESCC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H19FN2O3S/c1-8(13)11(16)10-9(6-5-7-14-10)19(17,18)15-12(2,3)4/h5-8,11,15-16H,1-4H3
InChIKeyOIXPFZXTDRMLFF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.55
Rot. Bonds4

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

N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 22648719) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID22648719
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC NameN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
SMILESCC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H19FN2O3S/c1-8(13)11(16)10-9(6-5-7-14-10)19(17,18)15-12(2,3)4/h5-8,11,15-16H,1-4H3
InChIKeyOIXPFZXTDRMLFF-UHFFFAOYSA-N
XLogP1.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.55
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-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide (CID 22648719) is N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide is CC(F)C(O)c1ncccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is OIXPFZXTDRMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-8(13)11(16)10-9(6-5-7-14-10)19(17,18)15-12(2,3)4/h5-8,11,15-16H,1-4H3.
What are the key properties of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.55, 4 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-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22648719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).