3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

C9H13FN2O2S — CID 75437967

IUPAC3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCc1ccncc1
InChIInChI=1S/C9H13FN2O2S/c10-4-1-7-15(13,14)12-8-9-2-5-11-6-3-9/h2-3,5-6,12H,1,4,7-8H2
InChIKeyOIHTWJPDCUKXIC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.86
Rot. Bonds6

About 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (PubChem CID 75437967) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
PubChem CID75437967
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCc1ccncc1
InChIInChI=1S/C9H13FN2O2S/c10-4-1-7-15(13,14)12-8-9-2-5-11-6-3-9/h2-3,5-6,12H,1,4,7-8H2
InChIKeyOIHTWJPDCUKXIC-UHFFFAOYSA-N
XLogP0.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (CID 75437967) is 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCF)NCc1ccncc1.
What is the InChIKey of 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is OIHTWJPDCUKXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c10-4-1-7-15(13,14)12-8-9-2-5-11-6-3-9/h2-3,5-6,12H,1,4,7-8H2.
What are the key properties of 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 75437967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).