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

C22H16BrNO4S — CID 95052349

IUPAC(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H16BrNO4S/c23-16-11-13-17(14-12-16)24-19(15-7-3-1-4-8-15)21(20(25)22(24)26)29(27,28)18-9-5-2-6-10-18/h1-14,19,25H/t19-/m0/s1
InChIKeyZHIJBXKTLBRYCQ-IBGZPJMESA-N
MW470.34 g/mol
LogP4.78
Rot. Bonds4

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

(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 95052349) has the molecular formula C22H16BrNO4S and a molecular weight of 470.34 g/mol. Its IUPAC name is (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID95052349
Molecular FormulaC22H16BrNO4S
Molecular Weight470.34 g/mol
Exact Mass469.00
IUPAC Name(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H16BrNO4S/c23-16-11-13-17(14-12-16)24-19(15-7-3-1-4-8-15)21(20(25)22(24)26)29(27,28)18-9-5-2-6-10-18/h1-14,19,25H/t19-/m0/s1
InChIKeyZHIJBXKTLBRYCQ-IBGZPJMESA-N
XLogP4.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052352
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
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 802741
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
CID 95052476
(2R)-3-(benzenesulfonyl)-2-(3-butoxyphenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 31647039
methyl 4-[3-(benzenesulfonyl)-1-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 53017618
3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 53017709
4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 40941574
1-(4-chlorophenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017617

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 95052349) is (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1.
What is the InChIKey of (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ZHIJBXKTLBRYCQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16BrNO4S/c23-16-11-13-17(14-12-16)24-19(15-7-3-1-4-8-15)21(20(25)22(24)26)29(27,28)18-9-5-2-6-10-18/h1-14,19,25H/t19-/m0/s1.
What are the key properties of (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 470.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 95052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).