(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C22H22ClFN2O5S — CID 31646647

IUPAC(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1
InChIInChI=1S/C22H22ClFN2O5S/c23-16-3-7-18(8-4-16)32(29,30)21-19(15-1-5-17(24)6-2-15)26(22(28)20(21)27)10-9-25-11-13-31-14-12-25/h1-8,19,27H,9-14H2/t19-/m1/s1
InChIKeyNULYHUIUPIZTSO-LJQANCHMSA-N
MW480.95 g/mol
LogP2.94
Rot. Bonds6

About (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 31646647) has the molecular formula C22H22ClFN2O5S and a molecular weight of 480.95 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID31646647
Molecular FormulaC22H22ClFN2O5S
Molecular Weight480.95 g/mol
Exact Mass480.09
IUPAC Name(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1
InChIInChI=1S/C22H22ClFN2O5S/c23-16-3-7-18(8-4-16)32(29,30)21-19(15-1-5-17(24)6-2-15)26(22(28)20(21)27)10-9-25-11-13-31-14-12-25/h1-8,19,27H,9-14H2/t19-/m1/s1
InChIKeyNULYHUIUPIZTSO-LJQANCHMSA-N
XLogP2.94
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017794
3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017842
(2R)-3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052434
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052566
(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 95052468
3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017685
3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3141342
3-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857868
(4E)-5-(4-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione
CID 110277198
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052634
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901
(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 1496411

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 31646647) is (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is NULYHUIUPIZTSO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22ClFN2O5S/c23-16-3-7-18(8-4-16)32(29,30)21-19(15-1-5-17(24)6-2-15)26(22(28)20(21)27)10-9-25-11-13-31-14-12-25/h1-8,19,27H,9-14H2/t19-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 480.95 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 31646647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).