1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine

C15H19N3O2S — CID 154641562

IUPAC1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine
SMILESO=S(=O)(c1ccccc1)N1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C15H19N3O2S/c19-21(20,15-4-2-1-3-5-15)18-10-6-14(7-11-18)17-12-8-16-9-13-17/h1-7,10,16H,8-9,11-13H2
InChIKeyZGADGRVCQCZJDN-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.99
Rot. Bonds3

About 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine

1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine (PubChem CID 154641562) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine
PubChem CID154641562
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine
SMILESO=S(=O)(c1ccccc1)N1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C15H19N3O2S/c19-21(20,15-4-2-1-3-5-15)18-10-6-14(7-11-18)17-12-8-16-9-13-17/h1-7,10,16H,8-9,11-13H2
InChIKeyZGADGRVCQCZJDN-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]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-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine?
The IUPAC name of 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine (CID 154641562) is 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine is O=S(=O)(c1ccccc1)N1C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine?
The InChIKey is ZGADGRVCQCZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-21(20,15-4-2-1-3-5-15)18-10-6-14(7-11-18)17-12-8-16-9-13-17/h1-7,10,16H,8-9,11-13H2.
What are the key properties of 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine?
1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine has a molecular weight of 305.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine is sourced from PubChem (CID 154641562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).