5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C22H24ClN3O6S — CID 648532

IUPAC5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O6S/c1-29-18-10-15(11-19(30-2)20(18)31-3)21-24-22(32-25-21)14-6-5-9-26(13-14)33(27,28)17-8-4-7-16(23)12-17/h4,7-8,10-12,14H,5-6,9,13H2,1-3H3
InChIKeyAVWLBGJDKILGGS-UHFFFAOYSA-N
MW493.97 g/mol
LogP3.98
Rot. Bonds7

About 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 648532) has the molecular formula C22H24ClN3O6S and a molecular weight of 493.97 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID648532
Molecular FormulaC22H24ClN3O6S
Molecular Weight493.97 g/mol
Exact Mass493.11
IUPAC Name5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O6S/c1-29-18-10-15(11-19(30-2)20(18)31-3)21-24-22(32-25-21)14-6-5-9-26(13-14)33(27,28)17-8-4-7-16(23)12-17/h4,7-8,10-12,14H,5-6,9,13H2,1-3H3
InChIKeyAVWLBGJDKILGGS-UHFFFAOYSA-N
XLogP3.98
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 648532) is 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC.
What is the InChIKey of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is AVWLBGJDKILGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O6S/c1-29-18-10-15(11-19(30-2)20(18)31-3)21-24-22(32-25-21)14-6-5-9-26(13-14)33(27,28)17-8-4-7-16(23)12-17/h4,7-8,10-12,14H,5-6,9,13H2,1-3H3.
What are the key properties of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 493.97 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 648532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).