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

C24H21F2N3O4S — CID 2620703

IUPAC(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N3O4S/c25-18-6-8-21(20(26)14-18)29-23(30)15-22(24(29)31)27-9-11-28(12-10-27)34(32,33)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14,22H,9-12,15H2/t22-/m0/s1
InChIKeyXDMGXMKOFFCBIU-QFIPXVFZSA-N
MW485.51 g/mol
LogP2.76
Rot. Bonds4

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

(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2620703) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2620703
Molecular FormulaC24H21F2N3O4S
Molecular Weight485.51 g/mol
Exact Mass485.12
IUPAC Name(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N3O4S/c25-18-6-8-21(20(26)14-18)29-23(30)15-22(24(29)31)27-9-11-28(12-10-27)34(32,33)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14,22H,9-12,15H2/t22-/m0/s1
InChIKeyXDMGXMKOFFCBIU-QFIPXVFZSA-N
XLogP2.76
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2620703) is (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione is O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is XDMGXMKOFFCBIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c25-18-6-8-21(20(26)14-18)29-23(30)15-22(24(29)31)27-9-11-28(12-10-27)34(32,33)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14,22H,9-12,15H2/t22-/m0/s1.
What are the key properties of (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 485.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-difluorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2620703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).