4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H23FN4O3S2 — CID 58215380

IUPAC4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C22H23FN4O3S2/c1-16-2-3-18(23)14-17(16)15-21(28)27-11-9-26(10-12-27)19-4-6-20(7-5-19)32(29,30)25-22-24-8-13-31-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)
InChIKeyIUDWFDMTZHISMX-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.28
Rot. Bonds6

About 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58215380) has the molecular formula C22H23FN4O3S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID58215380
Molecular FormulaC22H23FN4O3S2
Molecular Weight474.58 g/mol
Exact Mass474.12
IUPAC Name4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C22H23FN4O3S2/c1-16-2-3-18(23)14-17(16)15-21(28)27-11-9-26(10-12-27)19-4-6-20(7-5-19)32(29,30)25-22-24-8-13-31-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)
InChIKeyIUDWFDMTZHISMX-UHFFFAOYSA-N
XLogP3.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide 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-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89178471
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160910749
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465879
4-[4-[2-(2,4-difluorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465978
4-[(3S)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466164
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89403897
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466120
1-(3,4-dimethylphenyl)piperazine;molecular hydrogen;4-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159211799

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 58215380) is 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(F)cc1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IUDWFDMTZHISMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S2/c1-16-2-3-18(23)14-17(16)15-21(28)27-11-9-26(10-12-27)19-4-6-20(7-5-19)32(29,30)25-22-24-8-13-31-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,25).
What are the key properties of 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58215380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).