(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one

C24H19ClFNO4S — CID 95052634

IUPAC(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFNO4S/c1-15-6-12-19(13-7-15)32(30,31)23-21(16-8-10-18(26)11-9-16)27(24(29)22(23)28)14-17-4-2-3-5-20(17)25/h2-13,21,28H,14H2,1H3/t21-/m0/s1
InChIKeyGXFVPSROJAHOHG-NRFANRHFSA-N
MW471.94 g/mol
LogP5.11
Rot. Bonds5

About (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one

(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one (PubChem CID 95052634) has the molecular formula C24H19ClFNO4S and a molecular weight of 471.94 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
PubChem CID95052634
Molecular FormulaC24H19ClFNO4S
Molecular Weight471.94 g/mol
Exact Mass471.07
IUPAC Name(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFNO4S/c1-15-6-12-19(13-7-15)32(30,31)23-21(16-8-10-18(26)11-9-16)27(24(29)22(23)28)14-17-4-2-3-5-20(17)25/h2-13,21,28H,14H2,1H3/t21-/m0/s1
InChIKeyGXFVPSROJAHOHG-NRFANRHFSA-N
XLogP5.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052566
1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017794
2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017801
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052654
3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017685
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540
(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 95052468
(2R)-3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052434
methyl 4-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrol-2-yl]benzoate
CID 53017803
(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 30845141
1-[(4-chlorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 53017800
3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017842

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one (CID 95052634) is (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one is Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The InChIKey is GXFVPSROJAHOHG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19ClFNO4S/c1-15-6-12-19(13-7-15)32(30,31)23-21(16-8-10-18(26)11-9-16)27(24(29)22(23)28)14-17-4-2-3-5-20(17)25/h2-13,21,28H,14H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one has a molecular weight of 471.94 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one is sourced from PubChem (CID 95052634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).