3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole

C19H17ClFN3O3S — CID 53130626

IUPAC3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H17ClFN3O3S/c20-16-12-15(6-7-17(16)21)28(25,26)24-10-8-13(9-11-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyOLVZMVHZXQXPAR-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.10
Rot. Bonds4

About 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole

3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 53130626) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID53130626
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC Name3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H17ClFN3O3S/c20-16-12-15(6-7-17(16)21)28(25,26)24-10-8-13(9-11-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyOLVZMVHZXQXPAR-UHFFFAOYSA-N
XLogP4.10
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 155530502
CID 155530502
CID 3245549
CID 3245549
CID 3545034
CID 3545034
CID 16014085
CID 16014085
CID 1484229
CID 1484229
CID 3545033
CID 3545033
CID 647484
CID 647484
CID 3225892
CID 3225892
CID 3241603
CID 3241603
CID 3545035
CID 3545035
CID 53121800
CID 53121800
CID 91918651
CID 91918651

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole (CID 53130626) is 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is OLVZMVHZXQXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c20-16-12-15(6-7-17(16)21)28(25,26)24-10-8-13(9-11-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 421.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 53130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).