sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride

C29H23ClN3NaO5S2 — CID 173122628

About sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride

sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride (PubChem CID 173122628) has the molecular formula C29H23ClN3NaO5S2 and a molecular weight of 616.10 g/mol. Its IUPAC name is sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride.

Molecular Properties

• Compound Name: sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride
• PubChem CID: 173122628
• Molecular Formula: C29H23ClN3NaO5S2
• Molecular Weight: 616.10 g/mol
• Exact Mass: 615.07
• IUPAC Name: sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride
• SMILES: COc1ccc2cc(C=C3S/C(=N\c4ccc(CC(=O)NS(=O)(=O)c5ccc(Cl)cc5)cc4)NC3=O)ccc2c1.[H-].[Na+]
• InChI: InChI=1S/C29H22ClN3O5S2.Na.H/c1-38-24-11-6-20-14-19(2-5-21(20)17-24)15-26-28(35)32-29(39-26)31-23-9-3-18(4-10-23)16-27(34)33-40(36,37)25-12-7-22(30)8-13-25;;/h2-15,17H,16H2,1H3,(H,33,34)(H,31,32,35);;/q;+1;-1
• InChIKey: FIJDNGDBSDVMOH-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 113.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.10
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride?

The IUPAC name of sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride (CID 173122628) is sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride.

What is the SMILES notation for sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride?

The canonical SMILES for sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride is COc1ccc2cc(C=C3S/C(=N\c4ccc(CC(=O)NS(=O)(=O)c5ccc(Cl)cc5)cc4)NC3=O)ccc2c1.[H-].[Na+].

What is the InChIKey of sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride?

The InChIKey is FIJDNGDBSDVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O5S2.Na.H/c1-38-24-11-6-20-14-19(2-5-21(20)17-24)15-26-28(35)32-29(39-26)31-23-9-3-18(4-10-23)16-27(34)33-40(36,37)25-12-7-22(30)8-13-25;;/h2-15,17H,16H2,1H3,(H,33,34)(H,31,32,35);;/q;+1;-1.

What are the key properties of sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride?

sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride has a molecular weight of 616.10 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride is sourced from PubChem (CID 173122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).