1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one

C23H18FNO3S — CID 10319221

IUPAC1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C23H18FNO3S/c1-29(27,28)18-13-11-16(12-14-18)19-15-25(21-10-6-5-9-20(21)24)23(26)22(19)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyDGMFCHKURLYHIZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.19
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one

1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one (PubChem CID 10319221) has the molecular formula C23H18FNO3S and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
PubChem CID10319221
Molecular FormulaC23H18FNO3S
Molecular Weight407.47 g/mol
Exact Mass407.10
IUPAC Name1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C23H18FNO3S/c1-29(27,28)18-13-11-16(12-14-18)19-15-25(21-10-6-5-9-20(21)24)23(26)22(19)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyDGMFCHKURLYHIZ-UHFFFAOYSA-N
XLogP4.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one (CID 10319221) is 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one is CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one?
The InChIKey is DGMFCHKURLYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S/c1-29(27,28)18-13-11-16(12-14-18)19-15-25(21-10-6-5-9-20(21)24)23(26)22(19)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one?
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one has a molecular weight of 407.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 10319221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).