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

C16H23Cl2N3O3S — CID 24685339

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)16(22)12-19-7-9-21(10-8-19)25(23,24)13-5-6-14(17)15(18)11-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySDVHEINVNKBXEW-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.17
Rot. Bonds6

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

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (PubChem CID 24685339) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
PubChem CID24685339
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)16(22)12-19-7-9-21(10-8-19)25(23,24)13-5-6-14(17)15(18)11-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySDVHEINVNKBXEW-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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Related Compounds

1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2559660
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~,N~1~,N~2~-trimethylglycinamide
CID 973230
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
CID 1073012
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2214119
4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2222041
2-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9119720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (CID 24685339) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is SDVHEINVNKBXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-3-20(4-2)16(22)12-19-7-9-21(10-8-19)25(23,24)13-5-6-14(17)15(18)11-13/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
2-[4-(3,4-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-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 24685339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).