2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide

C18H27Cl2N3O3S — CID 24525778

IUPAC2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1
InChIInChI=1S/C18H27Cl2N3O3S/c1-5-22(6-2)16(24)12-21-7-9-23(10-8-21)27(25,26)18-14(4)15(19)11-13(3)17(18)20/h11H,5-10,12H2,1-4H3
InChIKeyKCHISOQWVGDQTR-UHFFFAOYSA-N
MW436.41 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide

2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (PubChem CID 24525778) has the molecular formula C18H27Cl2N3O3S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
PubChem CID24525778
Molecular FormulaC18H27Cl2N3O3S
Molecular Weight436.41 g/mol
Exact Mass435.12
IUPAC Name2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1
InChIInChI=1S/C18H27Cl2N3O3S/c1-5-22(6-2)16(24)12-21-7-9-23(10-8-21)27(25,26)18-14(4)15(19)11-13(3)17(18)20/h11H,5-10,12H2,1-4H3
InChIKeyKCHISOQWVGDQTR-UHFFFAOYSA-N
XLogP2.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
N,N-diethyl-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24525780
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605278
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574487
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
2-[4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603028
1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237860
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
CID 1439313
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
N,N-diethyl-2-[4-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55452089

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (CID 24525778) is 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is KCHISOQWVGDQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O3S/c1-5-22(6-2)16(24)12-21-7-9-23(10-8-21)27(25,26)18-14(4)15(19)11-13(3)17(18)20/h11H,5-10,12H2,1-4H3.
What are the key properties of 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 436.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 24525778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).