3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide

C9H13FN2O3S — CID 155408916

IUPAC3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide
SMILESCC(C(C)(O)c1ccc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-6(16(11,14)15)9(2,13)8-4-3-7(10)5-12-8/h3-6,13H,1-2H3,(H2,11,14,15)
InChIKeyGDTFFOJHSWYFMA-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.11
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide

3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide (PubChem CID 155408916) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide
PubChem CID155408916
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide
SMILESCC(C(C)(O)c1ccc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-6(16(11,14)15)9(2,13)8-4-3-7(10)5-12-8/h3-6,13H,1-2H3,(H2,11,14,15)
InChIKeyGDTFFOJHSWYFMA-UHFFFAOYSA-N
XLogP0.11
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
CID 134541723
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124710
(2S,3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134542369
(2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134541790
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
6-ethylsulfonyl-3-(5-fluoro-2-pyridinyl)hexan-3-ol
CID 112585907
(3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 146417032
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol
CID 83110785
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide (CID 155408916) is 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide is CC(C(C)(O)c1ccc(F)cn1)S(N)(=O)=O.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide?
The InChIKey is GDTFFOJHSWYFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6(16(11,14)15)9(2,13)8-4-3-7(10)5-12-8/h3-6,13H,1-2H3,(H2,11,14,15).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide?
3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide is sourced from PubChem (CID 155408916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).