3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C21H15ClFNO5S — CID 53017842

IUPAC3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C21H15ClFNO5S/c22-14-5-9-17(10-6-14)30(27,28)20-18(13-3-7-15(23)8-4-13)24(21(26)19(20)25)12-16-2-1-11-29-16/h1-11,18,25H,12H2
InChIKeyKLSOOKCYCGYRPT-UHFFFAOYSA-N
MW447.87 g/mol
LogP4.40
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 53017842) has the molecular formula C21H15ClFNO5S and a molecular weight of 447.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID53017842
Molecular FormulaC21H15ClFNO5S
Molecular Weight447.87 g/mol
Exact Mass447.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C21H15ClFNO5S/c22-14-5-9-17(10-6-14)30(27,28)20-18(13-3-7-15(23)8-4-13)24(21(26)19(20)25)12-16-2-1-11-29-16/h1-11,18,25H,12H2
InChIKeyKLSOOKCYCGYRPT-UHFFFAOYSA-N
XLogP4.40
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052654
(2R)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052659
(2R)-3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 95052434
1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017794
3-(benzenesulfonyl)-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017685
(2R)-3-(benzenesulfonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 95052468
(2R)-3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 31646647
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052566
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052634
3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 53017709
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073597
2-(4-chlorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108641288

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 53017842) is 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccc(F)cc2)N1Cc1ccco1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is KLSOOKCYCGYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO5S/c22-14-5-9-17(10-6-14)30(27,28)20-18(13-3-7-15(23)8-4-13)24(21(26)19(20)25)12-16-2-1-11-29-16/h1-11,18,25H,12H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 447.87 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 53017842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).