N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide

C13H21FN2O3S — CID 22648736

IUPACN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide
SMILESCc1ccnc(C(O)C(C)F)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21FN2O3S/c1-8-6-7-15-10(11(17)9(2)14)12(8)20(18,19)16-13(3,4)5/h6-7,9,11,16-17H,1-5H3
InChIKeySRQNOLLGECXKDP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.86
Rot. Bonds4

About N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide

N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide (PubChem CID 22648736) 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-hydroxypropyl)-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide
PubChem CID22648736
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide
SMILESCc1ccnc(C(O)C(C)F)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21FN2O3S/c1-8-6-7-15-10(11(17)9(2)14)12(8)20(18,19)16-13(3,4)5/h6-7,9,11,16-17H,1-5H3
InChIKeySRQNOLLGECXKDP-UHFFFAOYSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.86
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)-4-methylpyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide (CID 22648736) is N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide is Cc1ccnc(C(O)C(C)F)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide?
The InChIKey is SRQNOLLGECXKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-8-6-7-15-10(11(17)9(2)14)12(8)20(18,19)16-13(3,4)5/h6-7,9,11,16-17H,1-5H3.
What are the key properties of N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide?
N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.86, 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)-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 22648736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).