1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione

C24H22ClN3O4S — CID 5236758

IUPAC1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-19-6-8-20(9-7-19)28-23(29)16-22(24(28)30)26-11-13-27(14-12-26)33(31,32)21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15,22H,11-14,16H2
InChIKeyVOZASAGNSNNOKK-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 5236758) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID5236758
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-19-6-8-20(9-7-19)28-23(29)16-22(24(28)30)26-11-13-27(14-12-26)33(31,32)21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15,22H,11-14,16H2
InChIKeyVOZASAGNSNNOKK-UHFFFAOYSA-N
XLogP3.13
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2492278
(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2620703
(3S)-1-(4-chlorophenyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25346833
1-(3,4-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 4966397
(3R)-1-(3,4-dichlorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085480
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6610561
(3R)-1-(3,5-dichlorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2412345
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3S)-1-(4-methylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 2091778
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 5236758) is 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is VOZASAGNSNNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c25-19-6-8-20(9-7-19)28-23(29)16-22(24(28)30)26-11-13-27(14-12-26)33(31,32)21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15,22H,11-14,16H2.
What are the key properties of 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 483.98 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5236758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).