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

C21H21ClFN3O5S — CID 4969266

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC(N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O
InChIInChI=1S/C21H21ClFN3O5S/c1-31-18-7-6-14(22)12-16(18)26-20(27)13-17(21(26)28)24-8-10-25(11-9-24)32(29,30)19-5-3-2-4-15(19)23/h2-7,12,17H,8-11,13H2,1H3
InChIKeyCORODPVBCFMZAH-UHFFFAOYSA-N
MW481.93 g/mol
LogP2.13
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 4969266) has the molecular formula C21H21ClFN3O5S and a molecular weight of 481.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID4969266
Molecular FormulaC21H21ClFN3O5S
Molecular Weight481.93 g/mol
Exact Mass481.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC(N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O
InChIInChI=1S/C21H21ClFN3O5S/c1-31-18-7-6-14(22)12-16(18)26-20(27)13-17(21(26)28)24-8-10-25(11-9-24)32(29,30)19-5-3-2-4-15(19)23/h2-7,12,17H,8-11,13H2,1H3
InChIKeyCORODPVBCFMZAH-UHFFFAOYSA-N
XLogP2.13
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.93
LogP ≤ 52.13
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

(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1084866
N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822420
N-(5-Chloro-2-methoxy-phenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 654668
1-(3-Chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2833606
ethyl 1-[N-(5-chloro-2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxylate
CID 2929885
3-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3573646
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4797029
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4850448
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4879349
5-chloro-3-(2-oxo-2-(4-(phenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethyl)benzo[d]oxazol-2(3H)-one
CID 44587039
5-chloro-3-(2-(4-(3-methoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
CID 44587203
5-chloro-3-(2-(4-(4-methoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
CID 44587204

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 4969266) is 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(Cl)cc1N1C(=O)CC(N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is CORODPVBCFMZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O5S/c1-31-18-7-6-14(22)12-16(18)26-20(27)13-17(21(26)28)24-8-10-25(11-9-24)32(29,30)19-5-3-2-4-15(19)23/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 481.93 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4969266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).