4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide

C19H20FN5O3S — CID 42650329

IUPAC4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C19H20FN5O3S/c20-15-6-8-16(9-7-15)29(27,28)21-12-18(26)24-10-3-4-14(13-24)19-23-22-17-5-1-2-11-25(17)19/h1-2,5-9,11,14,21H,3-4,10,12-13H2
InChIKeyQTMLLSJJJRIISE-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.55
Rot. Bonds5

About 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide

4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 42650329) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID42650329
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C19H20FN5O3S/c20-15-6-8-16(9-7-15)29(27,28)21-12-18(26)24-10-3-4-14(13-24)19-23-22-17-5-1-2-11-25(17)19/h1-2,5-9,11,14,21H,3-4,10,12-13H2
InChIKeyQTMLLSJJJRIISE-UHFFFAOYSA-N
XLogP1.55
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide (CID 42650329) is 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is QTMLLSJJJRIISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-15-6-8-16(9-7-15)29(27,28)21-12-18(26)24-10-3-4-14(13-24)19-23-22-17-5-1-2-11-25(17)19/h1-2,5-9,11,14,21H,3-4,10,12-13H2.
What are the key properties of 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 417.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 42650329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).