3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

C23H18FNO4S — CID 53017685

IUPAC3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)C(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-18-13-11-17(12-14-18)20-22(30(28,29)19-9-5-2-6-10-19)21(26)23(27)25(20)15-16-7-3-1-4-8-16/h1-14,20,26H,15H2
InChIKeyYKZZSFCQGDQEFW-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.15
Rot. Bonds5

About 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 53017685) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID53017685
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC Name3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)C(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-18-13-11-17(12-14-18)20-22(30(28,29)19-9-5-2-6-10-19)21(26)23(27)25(20)15-16-7-3-1-4-8-16/h1-14,20,26H,15H2
InChIKeyYKZZSFCQGDQEFW-UHFFFAOYSA-N
XLogP4.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 53017685) is 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccccc2)C(c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is YKZZSFCQGDQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4S/c24-18-13-11-17(12-14-18)20-22(30(28,29)19-9-5-2-6-10-19)21(26)23(27)25(20)15-16-7-3-1-4-8-16/h1-14,20,26H,15H2.
What are the key properties of 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 423.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 53017685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).