4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide

C24H20ClN3O6S — CID 108674317

IUPAC4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(C)cc1/C(O)=C1\C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccncc1
InChIInChI=1S/C24H20ClN3O6S/c1-13-11-17(23(34-2)18(25)12-13)21(29)19-20(14-7-9-27-10-8-14)28(24(31)22(19)30)15-3-5-16(6-4-15)35(26,32)33/h3-12,20,29H,1-2H3,(H2,26,32,33)/b21-19+
InChIKeyGSJDHNRPFCNHMX-XUTLUUPISA-N
MW513.96 g/mol
LogP3.33
Rot. Bonds5

About 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide

4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide (PubChem CID 108674317) has the molecular formula C24H20ClN3O6S and a molecular weight of 513.96 g/mol. Its IUPAC name is 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide
PubChem CID108674317
Molecular FormulaC24H20ClN3O6S
Molecular Weight513.96 g/mol
Exact Mass513.08
IUPAC Name4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(C)cc1/C(O)=C1\C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccncc1
InChIInChI=1S/C24H20ClN3O6S/c1-13-11-17(23(34-2)18(25)12-13)21(29)19-20(14-7-9-27-10-8-14)28(24(31)22(19)30)15-3-5-16(6-4-15)35(26,32)33/h3-12,20,29H,1-2H3,(H2,26,32,33)/b21-19+
InChIKeyGSJDHNRPFCNHMX-XUTLUUPISA-N
XLogP3.33
TPSA139.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.96
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-(4-ethylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632751
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-(4-piperidin-1-ylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108673882
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108612285
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-phenylpyrrolidine-2,3-dione
CID 108642455
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108665982
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108575976
(4E)-1-(4-tert-butylphenyl)-4-[(3,5-dichloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593138
(4E)-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632436
(4E)-4-[(3,5-dichloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-methylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632658
(4E)-5-(4-tert-butylphenyl)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-[4-(dimethylamino)phenyl]pyrrolidine-2,3-dione
CID 108717285
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-(4-chlorophenyl)-5-[4-(diethylamino)phenyl]pyrrolidine-2,3-dione
CID 108710729
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632894

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide (CID 108674317) is 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide is COc1c(Cl)cc(C)cc1/C(O)=C1\C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccncc1.
What is the InChIKey of 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is GSJDHNRPFCNHMX-XUTLUUPISA-N. The full InChI is InChI=1S/C24H20ClN3O6S/c1-13-11-17(23(34-2)18(25)12-13)21(29)19-20(14-7-9-27-10-8-14)28(24(31)22(19)30)15-3-5-16(6-4-15)35(26,32)33/h3-12,20,29H,1-2H3,(H2,26,32,33)/b21-19+.
What are the key properties of 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide?
4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 513.96 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 108674317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).