3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one

C22H26N2O6S2 — CID 16807501

IUPAC3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O6S2/c25-21(11-17-31(27,28)19-7-3-1-4-8-19)23-13-15-24(16-14-23)22(26)12-18-32(29,30)20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyJSYQSNVGEUXRRE-UHFFFAOYSA-N
MW478.59 g/mol
LogP1.39
Rot. Bonds8

About 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one

3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one (PubChem CID 16807501) has the molecular formula C22H26N2O6S2 and a molecular weight of 478.59 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one
PubChem CID16807501
Molecular FormulaC22H26N2O6S2
Molecular Weight478.59 g/mol
Exact Mass478.12
IUPAC Name3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O6S2/c25-21(11-17-31(27,28)19-7-3-1-4-8-19)23-13-15-24(16-14-23)22(26)12-18-32(29,30)20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKeyJSYQSNVGEUXRRE-UHFFFAOYSA-N
XLogP1.39
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one 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 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one (CID 16807501) is 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one?
The InChIKey is JSYQSNVGEUXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S2/c25-21(11-17-31(27,28)19-7-3-1-4-8-19)23-13-15-24(16-14-23)22(26)12-18-32(29,30)20-9-5-2-6-10-20/h1-10H,11-18H2.
What are the key properties of 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one?
3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one has a molecular weight of 478.59 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 16807501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).