4-benzylpiperazine-1-sulfonamide

C11H17N3O2S — CID 11230586

IUPAC4-benzylpiperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H17N3O2S/c12-17(15,16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,12,15,16)
InChIKeyWZOUGKAXQBUEPB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.01
Rot. Bonds3

About 4-benzylpiperazine-1-sulfonamide

4-benzylpiperazine-1-sulfonamide (PubChem CID 11230586) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-benzylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-benzylpiperazine-1-sulfonamide
PubChem CID11230586
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-benzylpiperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H17N3O2S/c12-17(15,16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,12,15,16)
InChIKeyWZOUGKAXQBUEPB-UHFFFAOYSA-N
XLogP0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzylpiperazine-1-sulfonamide 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 4-benzylpiperazine-1-sulfonamide?
The IUPAC name of 4-benzylpiperazine-1-sulfonamide (CID 11230586) is 4-benzylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-benzylpiperazine-1-sulfonamide?
The canonical SMILES for 4-benzylpiperazine-1-sulfonamide is NS(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylpiperazine-1-sulfonamide?
The InChIKey is WZOUGKAXQBUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-17(15,16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,12,15,16).
What are the key properties of 4-benzylpiperazine-1-sulfonamide?
4-benzylpiperazine-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpiperazine-1-sulfonamide is sourced from PubChem (CID 11230586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).