N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide

C20H23ClFN3O3S — CID 16801496

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClFN3O3S/c21-17-2-1-3-19(15-17)24-9-11-25(12-10-24)29(27,28)13-8-23-20(26)14-16-4-6-18(22)7-5-16/h1-7,15H,8-14H2,(H,23,26)
InChIKeyFUEQSWIQLVTGGI-UHFFFAOYSA-N
MW439.94 g/mol
LogP2.29
Rot. Bonds7

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 16801496) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide
PubChem CID16801496
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClFN3O3S/c21-17-2-1-3-19(15-17)24-9-11-25(12-10-24)29(27,28)13-8-23-20(26)14-16-4-6-18(22)7-5-16/h1-7,15H,8-14H2,(H,23,26)
InChIKeyFUEQSWIQLVTGGI-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)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 N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide (CID 16801496) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FUEQSWIQLVTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3S/c21-17-2-1-3-19(15-17)24-9-11-25(12-10-24)29(27,28)13-8-23-20(26)14-16-4-6-18(22)7-5-16/h1-7,15H,8-14H2,(H,23,26).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 439.94 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16801496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).