(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one

C23H18ClNO4S — CID 95052476

IUPAC(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO4S/c1-15-7-13-19(14-8-15)30(28,29)22-20(16-9-11-17(24)12-10-16)25(23(27)21(22)26)18-5-3-2-4-6-18/h2-14,20,26H,1H3/t20-/m1/s1
InChIKeyKIOFDVOWFBABKN-HXUWFJFHSA-N
MW439.92 g/mol
LogP4.98
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one

(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one (PubChem CID 95052476) has the molecular formula C23H18ClNO4S and a molecular weight of 439.92 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
PubChem CID95052476
Molecular FormulaC23H18ClNO4S
Molecular Weight439.92 g/mol
Exact Mass439.06
IUPAC Name(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO4S/c1-15-7-13-19(14-8-15)30(28,29)22-20(16-9-11-17(24)12-10-16)25(23(27)21(22)26)18-5-3-2-4-6-18/h2-14,20,26H,1H3/t20-/m1/s1
InChIKeyKIOFDVOWFBABKN-HXUWFJFHSA-N
XLogP4.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 1108919
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
1-(4-chlorophenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017617
3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 53367459
aniline;4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one
CID 3243559
2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 53017761
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 31646755
(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 95052349
(2R)-1-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 95052505
(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 95052535
2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017801
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one (CID 95052476) is (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one is Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one?
The InChIKey is KIOFDVOWFBABKN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18ClNO4S/c1-15-7-13-19(14-8-15)30(28,29)22-20(16-9-11-17(24)12-10-16)25(23(27)21(22)26)18-5-3-2-4-6-18/h2-14,20,26H,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one?
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one has a molecular weight of 439.92 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 95052476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).