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

C17H24ClN3O3S — CID 6470953

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CCCC1
InChIInChI=1S/C17H24ClN3O3S/c18-14-5-7-16(8-6-14)25(23,24)21-11-9-20(10-12-21)13-17(22)19-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2,(H,19,22)
InChIKeyQGQJWCACUBFPJF-UHFFFAOYSA-N
MW385.92 g/mol
LogP1.71
Rot. Bonds5

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide (PubChem CID 6470953) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide
PubChem CID6470953
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CCCC1
InChIInChI=1S/C17H24ClN3O3S/c18-14-5-7-16(8-6-14)25(23,24)21-11-9-20(10-12-21)13-17(22)19-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2,(H,19,22)
InChIKeyQGQJWCACUBFPJF-UHFFFAOYSA-N
XLogP1.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
4-chloro-N-(3-methylbutyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444081
4-Chloro-N-(2-oxo-azepan-3-yl)-benzenesulfonamide
CID 2738683
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide (CID 6470953) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CCCC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is QGQJWCACUBFPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c18-14-5-7-16(8-6-14)25(23,24)21-11-9-20(10-12-21)13-17(22)19-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2,(H,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 385.92 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 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-cyclopentylacetamide is sourced from PubChem (CID 6470953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).