3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

C24H20BrNO4S — CID 53017674

IUPAC3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrNO4S/c1-2-16-8-10-17(11-9-16)21-23(31(29,30)20-6-4-3-5-7-20)22(27)24(28)26(21)19-14-12-18(25)13-15-19/h3-15,21,27H,2H2,1H3
InChIKeySMQXDEDUWBAPGZ-UHFFFAOYSA-N
MW498.40 g/mol
LogP5.34
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 53017674) has the molecular formula C24H20BrNO4S and a molecular weight of 498.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID53017674
Molecular FormulaC24H20BrNO4S
Molecular Weight498.40 g/mol
Exact Mass497.03
IUPAC Name3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrNO4S/c1-2-16-8-10-17(11-9-16)21-23(31(29,30)20-6-4-3-5-7-20)22(27)24(28)26(21)19-14-12-18(25)13-15-19/h3-15,21,27H,2H2,1H3
InChIKeySMQXDEDUWBAPGZ-UHFFFAOYSA-N
XLogP5.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 95052349
(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052352
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
1-(4-chlorophenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017617
2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 53017761
(2R)-1-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 95052505
(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 1108919
3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 53367459
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(4-ethylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 108638360
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
CID 95052476
methyl 4-[3-(benzenesulfonyl)-1-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 53017618
(2R)-3-(benzenesulfonyl)-2-(3-butoxyphenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 31647039

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 53017674) is 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is CCc1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is SMQXDEDUWBAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO4S/c1-2-16-8-10-17(11-9-16)21-23(31(29,30)20-6-4-3-5-7-20)22(27)24(28)26(21)19-14-12-18(25)13-15-19/h3-15,21,27H,2H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 498.40 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 53017674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).