1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C20H20N4O5S — CID 2594875

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O5S/c25-19(14-28-17-8-6-16(7-9-17)20-22-21-15-29-20)23-10-12-24(13-11-23)30(26,27)18-4-2-1-3-5-18/h1-9,15H,10-14H2
InChIKeyRYJDOSORDXMJJC-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 2594875) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
PubChem CID2594875
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O5S/c25-19(14-28-17-8-6-16(7-9-17)20-22-21-15-29-20)23-10-12-24(13-11-23)30(26,27)18-4-2-1-3-5-18/h1-9,15H,10-14H2
InChIKeyRYJDOSORDXMJJC-UHFFFAOYSA-N
XLogP1.65
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 2594875) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The InChIKey is RYJDOSORDXMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c25-19(14-28-17-8-6-16(7-9-17)20-22-21-15-29-20)23-10-12-24(13-11-23)30(26,27)18-4-2-1-3-5-18/h1-9,15H,10-14H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 428.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 2594875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).