[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C15H20N2O4S — CID 2970319

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyJATHLQCUGBVCLG-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.70
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 2970319) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID2970319
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyJATHLQCUGBVCLG-UHFFFAOYSA-N
XLogP0.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 2970319) is [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is JATHLQCUGBVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 324.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 2970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).