5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide

C14H19ClFN3O4S — CID 67126712

IUPAC5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C3COC3)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClFN3O4S/c15-12-5-11(24(17,20)21)6-18-13(12)23-9-14(16)1-3-19(4-2-14)10-7-22-8-10/h5-6,10H,1-4,7-9H2,(H2,17,20,21)
InChIKeyRPYQKYILTPEETL-UHFFFAOYSA-N
MW379.84 g/mol
LogP0.96
Rot. Bonds5

About 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide

5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 67126712) has the molecular formula C14H19ClFN3O4S and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
PubChem CID67126712
Molecular FormulaC14H19ClFN3O4S
Molecular Weight379.84 g/mol
Exact Mass379.08
IUPAC Name5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C3COC3)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClFN3O4S/c15-12-5-11(24(17,20)21)6-18-13(12)23-9-14(16)1-3-19(4-2-14)10-7-22-8-10/h5-6,10H,1-4,7-9H2,(H2,17,20,21)
InChIKeyRPYQKYILTPEETL-UHFFFAOYSA-N
XLogP0.96
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide (CID 67126712) is 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(F)CCN(C3COC3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is RPYQKYILTPEETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O4S/c15-12-5-11(24(17,20)21)6-18-13(12)23-9-14(16)1-3-19(4-2-14)10-7-22-8-10/h5-6,10H,1-4,7-9H2,(H2,17,20,21).
What are the key properties of 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide?
5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 379.84 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).