(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione

C22H24ClN3O5S — CID 2119966

IUPAC(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-31-18-6-8-19(9-7-18)32(29,30)25-12-10-24(11-13-25)20-14-21(27)26(22(20)28)15-16-2-4-17(23)5-3-16/h2-9,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyIWUPPZACUQCUBG-HXUWFJFHSA-N
MW477.97 g/mol
LogP1.98
Rot. Bonds6

About (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2119966) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2119966
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC Name(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-31-18-6-8-19(9-7-18)32(29,30)25-12-10-24(11-13-25)20-14-21(27)26(22(20)28)15-16-2-4-17(23)5-3-16/h2-9,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyIWUPPZACUQCUBG-HXUWFJFHSA-N
XLogP1.98
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 155114949
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 41059270
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-[(4-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 5298834
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
(3R)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 41270698
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 2119966) is (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is IWUPPZACUQCUBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c1-31-18-6-8-19(9-7-18)32(29,30)25-12-10-24(11-13-25)20-14-21(27)26(22(20)28)15-16-2-4-17(23)5-3-16/h2-9,20H,10-15H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 477.97 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2119966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).