N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide

C17H25ClFN3O3S — CID 86936863

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide
SMILESCCCCCS(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O3S/c1-2-3-4-11-26(24,25)22-9-7-21(8-10-22)13-17(23)20-16-6-5-14(19)12-15(16)18/h5-6,12H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyGJXLIGZFZALXPZ-UHFFFAOYSA-N
MW405.92 g/mol
LogP2.56
Rot. Bonds8

About N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide (PubChem CID 86936863) has the molecular formula C17H25ClFN3O3S and a molecular weight of 405.92 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide
PubChem CID86936863
Molecular FormulaC17H25ClFN3O3S
Molecular Weight405.92 g/mol
Exact Mass405.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide
SMILESCCCCCS(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O3S/c1-2-3-4-11-26(24,25)22-9-7-21(8-10-22)13-17(23)20-16-6-5-14(19)12-15(16)18/h5-6,12H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyGJXLIGZFZALXPZ-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide 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-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
N-(2-chloro-4-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266452
N-(2-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703627
N-(2,6-dichlorophenyl)-3-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936983
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55627423
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545627
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide (CID 86936863) is N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide is CCCCCS(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is GJXLIGZFZALXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN3O3S/c1-2-3-4-11-26(24,25)22-9-7-21(8-10-22)13-17(23)20-16-6-5-14(19)12-15(16)18/h5-6,12H,2-4,7-11,13H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 405.92 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-pentylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 86936863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).