2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide

C9H13FN2O3S — CID 142626005

IUPAC2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(F)C(O)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-2-6(10)9(13)8-7(16(11,14)15)4-3-5-12-8/h3-6,9,13H,2H2,1H3,(H2,11,14,15)
InChIKeyRZOMJPWADPYHBR-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.51
Rot. Bonds4

About 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide

2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide (PubChem CID 142626005) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
PubChem CID142626005
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(F)C(O)c1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-2-6(10)9(13)8-7(16(11,14)15)4-3-5-12-8/h3-6,9,13H,2H2,1H3,(H2,11,14,15)
InChIKeyRZOMJPWADPYHBR-UHFFFAOYSA-N
XLogP0.51
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide (CID 142626005) is 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide is CCC(F)C(O)c1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
The InChIKey is RZOMJPWADPYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-2-6(10)9(13)8-7(16(11,14)15)4-3-5-12-8/h3-6,9,13H,2H2,1H3,(H2,11,14,15).
What are the key properties of 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide?
2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 142626005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).