2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C19H23FN4O3S — CID 162662046

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN4O3S/c20-16-3-5-17(6-4-16)24-11-9-23(10-12-24)14-19(25)22-13-15-1-7-18(8-2-15)28(21,26)27/h1-8H,9-14H2,(H,22,25)(H2,21,26,27)
InChIKeyKXGUVBKMCAWWNE-UHFFFAOYSA-N
MW406.48 g/mol
LogP0.91
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 162662046) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID162662046
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN4O3S/c20-16-3-5-17(6-4-16)24-11-9-23(10-12-24)14-19(25)22-13-15-1-7-18(8-2-15)28(21,26)27/h1-8H,9-14H2,(H,22,25)(H2,21,26,27)
InChIKeyKXGUVBKMCAWWNE-UHFFFAOYSA-N
XLogP0.91
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide 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 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 162662046) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is KXGUVBKMCAWWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c20-16-3-5-17(6-4-16)24-11-9-23(10-12-24)14-19(25)22-13-15-1-7-18(8-2-15)28(21,26)27/h1-8H,9-14H2,(H,22,25)(H2,21,26,27).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 162662046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).