2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

C19H23BrN4O3S — CID 42439001

IUPAC2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1Br
InChIInChI=1S/C19H23BrN4O3S/c20-17-7-2-1-6-16(17)19(25)22-10-5-15-28(26,27)24-13-11-23(12-14-24)18-8-3-4-9-21-18/h1-4,6-9H,5,10-15H2,(H,22,25)
InChIKeyQNLVMFZQHQFYIH-UHFFFAOYSA-N
MW467.39 g/mol
LogP2.12
Rot. Bonds7

About 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42439001) has the molecular formula C19H23BrN4O3S and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42439001
Molecular FormulaC19H23BrN4O3S
Molecular Weight467.39 g/mol
Exact Mass466.07
IUPAC Name2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1Br
InChIInChI=1S/C19H23BrN4O3S/c20-17-7-2-1-6-16(17)19(25)22-10-5-15-28(26,27)24-13-11-23(12-14-24)18-8-3-4-9-21-18/h1-4,6-9H,5,10-15H2,(H,22,25)
InChIKeyQNLVMFZQHQFYIH-UHFFFAOYSA-N
XLogP2.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
CID 55692390
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42439001) is 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is QNLVMFZQHQFYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3S/c20-17-7-2-1-6-16(17)19(25)22-10-5-15-28(26,27)24-13-11-23(12-14-24)18-8-3-4-9-21-18/h1-4,6-9H,5,10-15H2,(H,22,25).
What are the key properties of 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 467.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42439001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).