4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide

C16H20N4O2S — CID 57339811

IUPAC4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c17-23(21,22)16-3-1-15(2-4-16)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H2,17,21,22)
InChIKeyOEZNRNPXNSDUAD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.05
Rot. Bonds4

About 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide

4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 57339811) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID57339811
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c17-23(21,22)16-3-1-15(2-4-16)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H2,17,21,22)
InChIKeyOEZNRNPXNSDUAD-UHFFFAOYSA-N
XLogP1.05
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide 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-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide (CID 57339811) is 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is OEZNRNPXNSDUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-23(21,22)16-3-1-15(2-4-16)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H2,17,21,22).
What are the key properties of 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 57339811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).