1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone

C24H27ClN2O4S — CID 55456430

IUPAC1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)CC2)cc1
InChIInChI=1S/C24H27ClN2O4S/c1-18(28)19-4-8-21(9-5-19)26-14-16-27(17-15-26)23(29)24(12-2-3-13-24)32(30,31)22-10-6-20(25)7-11-22/h4-11H,2-3,12-17H2,1H3
InChIKeyZGBITEBZFAVSMJ-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.98
Rot. Bonds5

About 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 55456430) has the molecular formula C24H27ClN2O4S and a molecular weight of 475.01 g/mol. Its IUPAC name is 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID55456430
Molecular FormulaC24H27ClN2O4S
Molecular Weight475.01 g/mol
Exact Mass474.14
IUPAC Name1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)CC2)cc1
InChIInChI=1S/C24H27ClN2O4S/c1-18(28)19-4-8-21(9-5-19)26-14-16-27(17-15-26)23(29)24(12-2-3-13-24)32(30,31)22-10-6-20(25)7-11-22/h4-11H,2-3,12-17H2,1H3
InChIKeyZGBITEBZFAVSMJ-UHFFFAOYSA-N
XLogP3.98
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)sulfonylcyclopentyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112810518
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
CID 55455984
1-[4-[4-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 90504480
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
CID 120657499
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
CID 119377853
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
CID 119349604
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55634206

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone (CID 55456430) is 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is ZGBITEBZFAVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S/c1-18(28)19-4-8-21(9-5-19)26-14-16-27(17-15-26)23(29)24(12-2-3-13-24)32(30,31)22-10-6-20(25)7-11-22/h4-11H,2-3,12-17H2,1H3.
What are the key properties of 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 475.01 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 55456430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).