4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

C17H20ClN5O3S — CID 7998556

IUPAC4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20ClN5O3S/c18-14-2-4-15(5-3-14)27(25,26)21-9-6-16(24)22-10-12-23(13-11-22)17-19-7-1-8-20-17/h1-5,7-8,21H,6,9-13H2
InChIKeyQBLRXUYFSAABLE-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.15
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 7998556) has the molecular formula C17H20ClN5O3S and a molecular weight of 409.90 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID7998556
Molecular FormulaC17H20ClN5O3S
Molecular Weight409.90 g/mol
Exact Mass409.10
IUPAC Name4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20ClN5O3S/c18-14-2-4-15(5-3-14)27(25,26)21-9-6-16(24)22-10-12-23(13-11-22)17-19-7-1-8-20-17/h1-5,7-8,21H,6,9-13H2
InChIKeyQBLRXUYFSAABLE-UHFFFAOYSA-N
XLogP1.15
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]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-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (CID 7998556) is 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is QBLRXUYFSAABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3S/c18-14-2-4-15(5-3-14)27(25,26)21-9-6-16(24)22-10-12-23(13-11-22)17-19-7-1-8-20-17/h1-5,7-8,21H,6,9-13H2.
What are the key properties of 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 409.90 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 7998556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).