1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine

C18H21ClN2O2S — CID 2225570

IUPAC1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O2S/c19-18-8-6-17(7-9-18)15-24(22,23)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyDYESWTZXINOZPP-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.99
Rot. Bonds5

About 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine

1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine (PubChem CID 2225570) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine
PubChem CID2225570
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O2S/c19-18-8-6-17(7-9-18)15-24(22,23)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyDYESWTZXINOZPP-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]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-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine (CID 2225570) is 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine is O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine?
The InChIKey is DYESWTZXINOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c19-18-8-6-17(7-9-18)15-24(22,23)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine?
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine has a molecular weight of 364.90 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 2225570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).