[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C17H19N3O3S — CID 2102315

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-12-10-19(11-13-20)17(21)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyINOLSQBMOODGHV-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.54
Rot. Bonds3

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 2102315) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID2102315
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-12-10-19(11-13-20)17(21)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyINOLSQBMOODGHV-UHFFFAOYSA-N
XLogP1.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone 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-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 2102315) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is INOLSQBMOODGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-12-10-19(11-13-20)17(21)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 2102315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).