(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one

C23H17F2NO4S — CID 95052468

IUPAC(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H17F2NO4S/c24-17-10-6-15(7-11-17)14-26-20(16-8-12-18(25)13-9-16)22(21(27)23(26)28)31(29,30)19-4-2-1-3-5-19/h1-13,20,27H,14H2/t20-/m1/s1
InChIKeyAWTLCDGOOXGDFA-HXUWFJFHSA-N
MW441.46 g/mol
LogP4.29
Rot. Bonds5

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

(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 95052468) has the molecular formula C23H17F2NO4S and a molecular weight of 441.46 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID95052468
Molecular FormulaC23H17F2NO4S
Molecular Weight441.46 g/mol
Exact Mass441.08
IUPAC Name(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H17F2NO4S/c24-17-10-6-15(7-11-17)14-26-20(16-8-12-18(25)13-9-16)22(21(27)23(26)28)31(29,30)19-4-2-1-3-5-19/h1-13,20,27H,14H2/t20-/m1/s1
InChIKeyAWTLCDGOOXGDFA-HXUWFJFHSA-N
XLogP4.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017685
(2R)-3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052434
methyl 4-[(2R)-3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 95052470
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052566
3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 53017709
1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017794
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052634
3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017842
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052654
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (CID 95052468) is (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is AWTLCDGOOXGDFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H17F2NO4S/c24-17-10-6-15(7-11-17)14-26-20(16-8-12-18(25)13-9-16)22(21(27)23(26)28)31(29,30)19-4-2-1-3-5-19/h1-13,20,27H,14H2/t20-/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 441.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 95052468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).