1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine

C18H22N2O2S — CID 6467663

IUPAC1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-23(22,18-9-5-2-6-10-18)20-15-13-19(14-16-20)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyAHCFFTCVKZELKI-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.24
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine

1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine (PubChem CID 6467663) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine
PubChem CID6467663
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-23(22,18-9-5-2-6-10-18)20-15-13-19(14-16-20)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyAHCFFTCVKZELKI-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine 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 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine (CID 6467663) is 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine is O=S(=O)(c1ccccc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine?
The InChIKey is AHCFFTCVKZELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,18-9-5-2-6-10-18)20-15-13-19(14-16-20)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine?
1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine has a molecular weight of 330.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 6467663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).