2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C18H20ClN3O3S — CID 2655562

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)26(24,25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyJSPXNEVTGOQCJY-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 2655562) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID2655562
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)26(24,25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyJSPXNEVTGOQCJY-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1364364
2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N~2~-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 4876025
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 4334044

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 2655562) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JSPXNEVTGOQCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)26(24,25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 393.90 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2655562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).