3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one

C24H19NO4S — CID 102114248

IUPAC3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-16-21(23(26)19-10-6-3-7-11-19)22(24(25)27)18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyBYAPZOOPBOVBAR-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.86
Rot. Bonds5

About 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one

3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one (PubChem CID 102114248) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one
PubChem CID102114248
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-16-21(23(26)19-10-6-3-7-11-19)22(24(25)27)18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyBYAPZOOPBOVBAR-UHFFFAOYSA-N
XLogP3.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one (CID 102114248) is 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CC(C(=O)c3ccccc3)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one?
The InChIKey is BYAPZOOPBOVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-17-12-14-20(15-13-17)30(28,29)25-16-21(23(26)19-10-6-3-7-11-19)22(24(25)27)18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one?
3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one has a molecular weight of 417.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 102114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).