3-benzhydrylsulfinylpyrrolidine-2,5-dione

C17H15NO3S — CID 10267717

IUPAC3-benzhydrylsulfinylpyrrolidine-2,5-dione
SMILESO=C1CC(S(=O)C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15NO3S/c19-15-11-14(17(20)18-15)22(21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,18,19,20)
InChIKeyPUDNNOVCZPOOLP-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.94
Rot. Bonds4

About 3-benzhydrylsulfinylpyrrolidine-2,5-dione

3-benzhydrylsulfinylpyrrolidine-2,5-dione (PubChem CID 10267717) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-benzhydrylsulfinylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzhydrylsulfinylpyrrolidine-2,5-dione
PubChem CID10267717
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name3-benzhydrylsulfinylpyrrolidine-2,5-dione
SMILESO=C1CC(S(=O)C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15NO3S/c19-15-11-14(17(20)18-15)22(21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,18,19,20)
InChIKeyPUDNNOVCZPOOLP-UHFFFAOYSA-N
XLogP1.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylsulfinylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzhydrylsulfinylpyrrolidine-2,5-dione (CID 10267717) is 3-benzhydrylsulfinylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzhydrylsulfinylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzhydrylsulfinylpyrrolidine-2,5-dione is O=C1CC(S(=O)C(c2ccccc2)c2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzhydrylsulfinylpyrrolidine-2,5-dione?
The InChIKey is PUDNNOVCZPOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-15-11-14(17(20)18-15)22(21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,18,19,20).
What are the key properties of 3-benzhydrylsulfinylpyrrolidine-2,5-dione?
3-benzhydrylsulfinylpyrrolidine-2,5-dione has a molecular weight of 313.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylsulfinylpyrrolidine-2,5-dione is sourced from PubChem (CID 10267717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).