(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one

C23H19NO4S — CID 1108919

IUPAC(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-12-14-19(15-13-16)29(27,28)22-20(17-8-4-2-5-9-17)24(23(26)21(22)25)18-10-6-3-7-11-18/h2-15,20,25H,1H3/t20-/m1/s1
InChIKeyCJLZZLREWSTMCR-HXUWFJFHSA-N
MW405.48 g/mol
LogP4.33
Rot. Bonds4

About (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one

(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one (PubChem CID 1108919) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
PubChem CID1108919
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-12-14-19(15-13-16)29(27,28)22-20(17-8-4-2-5-9-17)24(23(26)21(22)25)18-10-6-3-7-11-18/h2-15,20,25H,1H3/t20-/m1/s1
InChIKeyCJLZZLREWSTMCR-HXUWFJFHSA-N
XLogP4.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
CID 95052476
(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 95052349
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 802741
aniline;4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one
CID 3243559
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540
1-(4-chlorophenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017617
(2R)-3-(benzenesulfonyl)-2-(3-butoxyphenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 31647039
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
methyl 4-[(2S)-4-hydroxy-1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrol-2-yl]benzoate
CID 30845007
methyl 2-[(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 31646797

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one (CID 1108919) is (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one is Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The InChIKey is CJLZZLREWSTMCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-16-12-14-19(15-13-16)29(27,28)22-20(17-8-4-2-5-9-17)24(23(26)21(22)25)18-10-6-3-7-11-18/h2-15,20,25H,1H3/t20-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one has a molecular weight of 405.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 1108919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).