(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one

C17H15NO4S — CID 802741

IUPAC(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO4S/c1-23(21,22)16-14(12-8-4-2-5-9-12)18(17(20)15(16)19)13-10-6-3-7-11-13/h2-11,14,19H,1H3/t14-/m0/s1
InChIKeyXFSJRYNTZUUCHM-AWEZNQCLSA-N
MW329.38 g/mol
LogP2.59
Rot. Bonds3

About (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one

(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one (PubChem CID 802741) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
PubChem CID802741
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO4S/c1-23(21,22)16-14(12-8-4-2-5-9-12)18(17(20)15(16)19)13-10-6-3-7-11-13/h2-11,14,19H,1H3/t14-/m0/s1
InChIKeyXFSJRYNTZUUCHM-AWEZNQCLSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

aniline;4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one
CID 3243559
(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 1108919
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 95052349
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(2S)-1-(2-aminoethyl)-4-hydroxy-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one
CID 704745
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
CID 95052476
3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017674
3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 53367459
(2R)-3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052352
4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
CID 666307

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one (CID 802741) is (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one is CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
The InChIKey is XFSJRYNTZUUCHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-23(21,22)16-14(12-8-4-2-5-9-12)18(17(20)15(16)19)13-10-6-3-7-11-13/h2-11,14,19H,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one?
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one has a molecular weight of 329.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 802741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).