(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

C17H21Cl2N3O5S — CID 41059270

IUPAC(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C17H21Cl2N3O5S/c1-27-9-8-22-16(23)11-15(17(22)24)20-4-6-21(7-5-20)28(25,26)12-2-3-13(18)14(19)10-12/h2-3,10,15H,4-9,11H2,1H3/t15-/m1/s1
InChIKeyIJOSYZRCFZEDTN-OAHLLOKOSA-N
MW450.34 g/mol
LogP1.07
Rot. Bonds6

About (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 41059270) has the molecular formula C17H21Cl2N3O5S and a molecular weight of 450.34 g/mol. Its IUPAC name is (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID41059270
Molecular FormulaC17H21Cl2N3O5S
Molecular Weight450.34 g/mol
Exact Mass449.06
IUPAC Name(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C17H21Cl2N3O5S/c1-27-9-8-22-16(23)11-15(17(22)24)20-4-6-21(7-5-20)28(25,26)12-2-3-13(18)14(19)10-12/h2-3,10,15H,4-9,11H2,1H3/t15-/m1/s1
InChIKeyIJOSYZRCFZEDTN-OAHLLOKOSA-N
XLogP1.07
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 41059270) is (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCN1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is IJOSYZRCFZEDTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21Cl2N3O5S/c1-27-9-8-22-16(23)11-15(17(22)24)20-4-6-21(7-5-20)28(25,26)12-2-3-13(18)14(19)10-12/h2-3,10,15H,4-9,11H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 450.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 41059270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).