2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H25ClN4O3S — CID 2697728

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3S/c21-17-2-1-3-18(14-17)25-12-10-24(11-13-25)15-20(26)23-9-8-16-4-6-19(7-5-16)29(22,27)28/h1-7,14H,8-13,15H2,(H,23,26)(H2,22,27,28)
InChIKeyQVKLYTDLLJLZSH-UHFFFAOYSA-N
MW436.97 g/mol
LogP1.47
Rot. Bonds7

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2697728) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2697728
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3S/c21-17-2-1-3-18(14-17)25-12-10-24(11-13-25)15-20(26)23-9-8-16-4-6-19(7-5-16)29(22,27)28/h1-7,14H,8-13,15H2,(H,23,26)(H2,22,27,28)
InChIKeyQVKLYTDLLJLZSH-UHFFFAOYSA-N
XLogP1.47
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2697728) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is QVKLYTDLLJLZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c21-17-2-1-3-18(14-17)25-12-10-24(11-13-25)15-20(26)23-9-8-16-4-6-19(7-5-16)29(22,27)28/h1-7,14H,8-13,15H2,(H,23,26)(H2,22,27,28).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 436.97 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2697728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).