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

C16H24ClN3O3S — CID 78787610

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyAJIMVVKRXXNFIT-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.51
Rot. Bonds6

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (PubChem CID 78787610) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
PubChem CID78787610
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyAJIMVVKRXXNFIT-UHFFFAOYSA-N
XLogP1.51
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
N,N-diethyl-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24525780
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 24525778
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 9349006
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55508351
N,N-diethyl-2-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 55627639
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387320
N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 55627840
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide (CID 78787610) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is AJIMVVKRXXNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 373.91 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 78787610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).