4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide

C21H33ClN4O3S — CID 50820945

IUPAC4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCCN1CCCCC1)CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C21H33ClN4O3S/c22-20-7-5-19(6-8-20)21(27)25(14-4-13-24-11-2-1-3-12-24)17-18-30(28,29)26-15-9-23-10-16-26/h5-8,23H,1-4,9-18H2
InChIKeyVANPCLXDZXDZNO-UHFFFAOYSA-N
MW457.04 g/mol
LogP1.89
Rot. Bonds9

About 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide

4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 50820945) has the molecular formula C21H33ClN4O3S and a molecular weight of 457.04 g/mol. Its IUPAC name is 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID50820945
Molecular FormulaC21H33ClN4O3S
Molecular Weight457.04 g/mol
Exact Mass456.20
IUPAC Name4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCCN1CCCCC1)CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C21H33ClN4O3S/c22-20-7-5-19(6-8-20)21(27)25(14-4-13-24-11-2-1-3-12-24)17-18-30(28,29)26-15-9-23-10-16-26/h5-8,23H,1-4,9-18H2
InChIKeyVANPCLXDZXDZNO-UHFFFAOYSA-N
XLogP1.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.04
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)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

4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 50779637
4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50821035
3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057537
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 20971250
N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061651
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057558
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820941
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
4-chloro-N-(3-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971418
3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 50820945) is 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide is O=C(c1ccc(Cl)cc1)N(CCCN1CCCCC1)CCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is VANPCLXDZXDZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4O3S/c22-20-7-5-19(6-8-20)21(27)25(14-4-13-24-11-2-1-3-12-24)17-18-30(28,29)26-15-9-23-10-16-26/h5-8,23H,1-4,9-18H2.
What are the key properties of 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide?
4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 457.04 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 50820945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).