2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide

C16H23Cl2N3O3S — CID 24525765

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)15(22)12-19-8-10-21(11-9-19)25(23,24)14-7-5-6-13(17)16(14)18/h5-7H,3-4,8-12H2,1-2H3
InChIKeyXVAUZSKJGXVNKZ-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (PubChem CID 24525765) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
PubChem CID24525765
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)15(22)12-19-8-10-21(11-9-19)25(23,24)14-7-5-6-13(17)16(14)18/h5-7H,3-4,8-12H2,1-2H3
InChIKeyXVAUZSKJGXVNKZ-UHFFFAOYSA-N
XLogP2.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (CID 24525765) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is XVAUZSKJGXVNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)15(22)12-19-8-10-21(11-9-19)25(23,24)14-7-5-6-13(17)16(14)18/h5-7H,3-4,8-12H2,1-2H3.
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 408.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 24525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).