5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide

C15H19FN4O4S — CID 168730211

IUPAC5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESN#Cc1cnc(OCC2(F)CCN(C3COC3)CC2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H19FN4O4S/c16-15(1-3-20(4-2-15)12-8-23-9-12)10-24-14-13(25(18,21)22)5-11(6-17)7-19-14/h5,7,12H,1-4,8-10H2,(H2,18,21,22)
InChIKeyUOHRCAKHCGFNEF-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.18
Rot. Bonds5

About 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide

5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 168730211) has the molecular formula C15H19FN4O4S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
PubChem CID168730211
Molecular FormulaC15H19FN4O4S
Molecular Weight370.41 g/mol
Exact Mass370.11
IUPAC Name5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESN#Cc1cnc(OCC2(F)CCN(C3COC3)CC2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H19FN4O4S/c16-15(1-3-20(4-2-15)12-8-23-9-12)10-24-14-13(25(18,21)22)5-11(6-17)7-19-14/h5,7,12H,1-4,8-10H2,(H2,18,21,22)
InChIKeyUOHRCAKHCGFNEF-UHFFFAOYSA-N
XLogP0.18
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide (CID 168730211) is 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide is N#Cc1cnc(OCC2(F)CCN(C3COC3)CC2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is UOHRCAKHCGFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O4S/c16-15(1-3-20(4-2-15)12-8-23-9-12)10-24-14-13(25(18,21)22)5-11(6-17)7-19-14/h5,7,12H,1-4,8-10H2,(H2,18,21,22).
What are the key properties of 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 370.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 168730211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).