2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide

C20H22Cl2FN3O3S — CID 55354672

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22Cl2FN3O3S/c1-14(15-2-4-16(23)5-3-15)24-20(27)13-25-8-10-26(11-9-25)30(28,29)17-6-7-18(21)19(22)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)
InChIKeyVGDHBSLHAXJVDO-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 55354672) has the molecular formula C20H22Cl2FN3O3S and a molecular weight of 474.39 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID55354672
Molecular FormulaC20H22Cl2FN3O3S
Molecular Weight474.39 g/mol
Exact Mass473.07
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22Cl2FN3O3S/c1-14(15-2-4-16(23)5-3-15)24-20(27)13-25-8-10-26(11-9-25)30(28,29)17-6-7-18(21)19(22)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)
InChIKeyVGDHBSLHAXJVDO-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]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

N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
N-[1-(4-chlorophenyl)ethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 86919652
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9349024
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55680186
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46572180

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 55354672) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VGDHBSLHAXJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O3S/c1-14(15-2-4-16(23)5-3-15)24-20(27)13-25-8-10-26(11-9-25)30(28,29)17-6-7-18(21)19(22)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,27).
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 474.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 55354672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).