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

C20H18Cl2FN3O4S — CID 2085476

IUPAC(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2FN3O4S/c21-13-4-3-6-15(19(13)22)26-18(27)12-16(20(26)28)24-8-10-25(11-9-24)31(29,30)17-7-2-1-5-14(17)23/h1-7,16H,8-12H2/t16-/m1/s1
InChIKeyOYHVINDQSICESL-MRXNPFEDSA-N
MW486.35 g/mol
LogP2.77
Rot. Bonds4

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

(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2085476) has the molecular formula C20H18Cl2FN3O4S and a molecular weight of 486.35 g/mol. Its IUPAC name is (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2085476
Molecular FormulaC20H18Cl2FN3O4S
Molecular Weight486.35 g/mol
Exact Mass485.04
IUPAC Name(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2FN3O4S/c21-13-4-3-6-15(19(13)22)26-18(27)12-16(20(26)28)24-8-10-25(11-9-24)31(29,30)17-7-2-1-5-14(17)23/h1-7,16H,8-12H2/t16-/m1/s1
InChIKeyOYHVINDQSICESL-MRXNPFEDSA-N
XLogP2.77
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.35
LogP ≤ 52.77
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

1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 3907565
1-(3,4-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 4966397
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 1292395
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773610
(3S)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2095768
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2085222
ethyl 1-[(3R)-1-(2,3-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 92698727
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
(3S)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1291643
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 2085476) is (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is OYHVINDQSICESL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O4S/c21-13-4-3-6-15(19(13)22)26-18(27)12-16(20(26)28)24-8-10-25(11-9-24)31(29,30)17-7-2-1-5-14(17)23/h1-7,16H,8-12H2/t16-/m1/s1.
What are the key properties of (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 486.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2085476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).