3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide

C13H13FN2O3S — CID 103302258

IUPAC3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1ncccc1F
InChIInChI=1S/C13H13FN2O3S/c14-12-5-2-6-15-13(12)20(18,19)16-8-10-3-1-4-11(7-10)9-17/h1-7,16-17H,8-9H2
InChIKeyFLMPGIYDXYWJIW-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.19
Rot. Bonds5

About 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide

3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide (PubChem CID 103302258) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
PubChem CID103302258
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1ncccc1F
InChIInChI=1S/C13H13FN2O3S/c14-12-5-2-6-15-13(12)20(18,19)16-8-10-3-1-4-11(7-10)9-17/h1-7,16-17H,8-9H2
InChIKeyFLMPGIYDXYWJIW-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide (CID 103302258) is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide is O=S(=O)(NCc1cccc(CO)c1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The InChIKey is FLMPGIYDXYWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c14-12-5-2-6-15-13(12)20(18,19)16-8-10-3-1-4-11(7-10)9-17/h1-7,16-17H,8-9H2.
What are the key properties of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide has a molecular weight of 296.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103302258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).