3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide

C9H13FN2O4S — CID 103300126

IUPAC3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H13FN2O4S/c1-16-6-7(13)5-12-17(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3
InChIKeyDHJUPCVNTYDWKV-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.49
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide

3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide (PubChem CID 103300126) has the molecular formula C9H13FN2O4S and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide
PubChem CID103300126
Molecular FormulaC9H13FN2O4S
Molecular Weight264.28 g/mol
Exact Mass264.06
IUPAC Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H13FN2O4S/c1-16-6-7(13)5-12-17(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3
InChIKeyDHJUPCVNTYDWKV-UHFFFAOYSA-N
XLogP-0.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide (CID 103300126) is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide is COCC(O)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide?
The InChIKey is DHJUPCVNTYDWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O4S/c1-16-6-7(13)5-12-17(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide?
3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide has a molecular weight of 264.28 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).