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

C22H15BrFNO4S — CID 95052352

IUPAC(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H15BrFNO4S/c23-15-8-12-17(13-9-15)25-19(14-6-10-16(24)11-7-14)21(20(26)22(25)27)30(28,29)18-4-2-1-3-5-18/h1-13,19,26H/t19-/m1/s1
InChIKeyWVXJUBZNPOBCMB-LJQANCHMSA-N
MW488.33 g/mol
LogP4.92
Rot. Bonds4

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

(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 95052352) has the molecular formula C22H15BrFNO4S and a molecular weight of 488.33 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID95052352
Molecular FormulaC22H15BrFNO4S
Molecular Weight488.33 g/mol
Exact Mass486.99
IUPAC Name(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H15BrFNO4S/c23-15-8-12-17(13-9-15)25-19(14-6-10-16(24)11-7-14)21(20(26)22(25)27)30(28,29)18-4-2-1-3-5-18/h1-13,19,26H/t19-/m1/s1
InChIKeyWVXJUBZNPOBCMB-LJQANCHMSA-N
XLogP4.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.92
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
3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017674
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(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
3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017685
(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 95052468
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
(4Z)-5-(4-bromophenyl)-1-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5291115
(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)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052434

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 95052352) is (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Br)cc1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is WVXJUBZNPOBCMB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H15BrFNO4S/c23-15-8-12-17(13-9-15)25-19(14-6-10-16(24)11-7-14)21(20(26)22(25)27)30(28,29)18-4-2-1-3-5-18/h1-13,19,26H/t19-/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 488.33 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 95052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).