[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

C20H18ClN3O4S — CID 2349433

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClN3O4S/c21-16-8-4-15(5-9-16)19-22-23-20(28-19)18(25)14-6-10-17(11-7-14)29(26,27)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2
InChIKeyNFSONIZEOOZGHR-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.80
Rot. Bonds5

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 2349433) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID2349433
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClN3O4S/c21-16-8-4-15(5-9-16)19-22-23-20(28-19)18(25)14-6-10-17(11-7-14)29(26,27)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2
InChIKeyNFSONIZEOOZGHR-UHFFFAOYSA-N
XLogP3.80
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (CID 2349433) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is NFSONIZEOOZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c21-16-8-4-15(5-9-16)19-22-23-20(28-19)18(25)14-6-10-17(11-7-14)29(26,27)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 431.90 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2349433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).