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

C27H21ClN5NaO4S2 — CID 173122517

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

sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride (PubChem CID 173122517) has the molecular formula C27H21ClN5NaO4S2 and a molecular weight of 602.07 g/mol. Its IUPAC name is sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride.

Molecular Properties

• Compound Name: sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride
• PubChem CID: 173122517
• Molecular Formula: C27H21ClN5NaO4S2
• Molecular Weight: 602.07 g/mol
• Exact Mass: 601.06
• IUPAC Name: sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride
• SMILES: O=C(Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-n4cccn4)cc3)S2)cc1)NS(=O)(=O)c1ccc(Cl)cc1.[H-].[Na+]
• InChI: InChI=1S/C27H20ClN5O4S2.Na.H/c28-20-6-12-23(13-7-20)39(36,37)32-25(34)17-19-2-8-21(9-3-19)30-27-31-26(35)24(38-27)16-18-4-10-22(11-5-18)33-15-1-14-29-33;;/h1-16H,17H2,(H,32,34)(H,30,31,35);;/q;+1;-1/b24-16-
• InChIKey: MMJGQSDUNSQMCP-DUZCYILHSA-N
• XLogP: 1.58
• TPSA: 122.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.07
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride?

The IUPAC name of sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride (CID 173122517) is sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride.

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

The canonical SMILES for sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride is O=C(Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-n4cccn4)cc3)S2)cc1)NS(=O)(=O)c1ccc(Cl)cc1.[H-].[Na+].

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

The InChIKey is MMJGQSDUNSQMCP-DUZCYILHSA-N. The full InChI is InChI=1S/C27H20ClN5O4S2.Na.H/c28-20-6-12-23(13-7-20)39(36,37)32-25(34)17-19-2-8-21(9-3-19)30-27-31-26(35)24(38-27)16-18-4-10-22(11-5-18)33-15-1-14-29-33;;/h1-16H,17H2,(H,32,34)(H,30,31,35);;/q;+1;-1/b24-16-;;.

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

sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride has a molecular weight of 602.07 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-(4-chlorophenyl)sulfonyl-2-[4-[[(5Z)-4-oxo-5-[(4-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide;hydride is sourced from PubChem (CID 173122517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).