3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one

C24H21ClN2O4S — CID 53367459

IUPAC3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCN(C)c1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4S/c1-26(2)18-12-8-16(9-13-18)21-23(32(30,31)20-6-4-3-5-7-20)22(28)24(29)27(21)19-14-10-17(25)11-15-19/h3-15,21,28H,1-2H3
InChIKeyOVTBTQBBHRBHCV-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.74
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one

3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 53367459) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID53367459
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCN(C)c1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4S/c1-26(2)18-12-8-16(9-13-18)21-23(32(30,31)20-6-4-3-5-7-20)22(28)24(29)27(21)19-14-10-17(25)11-15-19/h3-15,21,28H,1-2H3
InChIKeyOVTBTQBBHRBHCV-UHFFFAOYSA-N
XLogP4.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one (CID 53367459) is 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one is CN(C)c1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is OVTBTQBBHRBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-26(2)18-12-8-16(9-13-18)21-23(32(30,31)20-6-4-3-5-7-20)22(28)24(29)27(21)19-14-10-17(25)11-15-19/h3-15,21,28H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one?
3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 468.96 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 53367459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).