4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine

C14H12F2N2O3S — CID 139027293

IUPAC4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C14H12F2N2O3S/c15-10-5-11(16)7-14(6-10)22(19,20)18-8-13(9-18)21-12-1-3-17-4-2-12/h1-7,13H,8-9H2
InChIKeyTWCMFLCGHBEHAG-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.81
Rot. Bonds4

About 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine

4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 139027293) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID139027293
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C14H12F2N2O3S/c15-10-5-11(16)7-14(6-10)22(19,20)18-8-13(9-18)21-12-1-3-17-4-2-12/h1-7,13H,8-9H2
InChIKeyTWCMFLCGHBEHAG-UHFFFAOYSA-N
XLogP1.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine (CID 139027293) is 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine is O=S(=O)(c1cc(F)cc(F)c1)N1CC(Oc2ccncc2)C1.
What is the InChIKey of 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is TWCMFLCGHBEHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-10-5-11(16)7-14(6-10)22(19,20)18-8-13(9-18)21-12-1-3-17-4-2-12/h1-7,13H,8-9H2.
What are the key properties of 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 326.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenyl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 139027293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).