N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C91H77Cl4N13O12S4 — CID 157293440

About N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 157293440) has the molecular formula C91H77Cl4N13O12S4 and a molecular weight of 1814.78 g/mol. Its IUPAC name is N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 157293440
• Molecular Formula: C91H77Cl4N13O12S4
• Molecular Weight: 1814.78 g/mol
• Exact Mass: 1811.35
• IUPAC Name: N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)nc1.Cc1ccnc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)c1.O=C(Nc1cc(Cl)cc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1.[C-]#[N+]c1ccc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)nc1
• InChI: InChI=1S/C25H20ClN3O3S.C22H17ClN4O3S.2C22H20ClN3O3S/c26-20-14-19(24-23-5-2-1-4-17(23)10-11-27-24)15-21(16-20)28-25(30)18-6-8-22(9-7-18)29-12-3-13-33(29,31)32;1-24-17-6-10-21(25-14-17)19-13-16(5-9-20(19)23)26-22(28)15-3-7-18(8-4-15)27-11-2-12-31(27,29)30;1-15-3-10-21(24-14-15)19-13-17(6-9-20(19)23)25-22(27)16-4-7-18(8-5-16)26-11-2-12-30(26,28)29;1-15-9-10-24-21(13-15)19-14-17(5-8-20(19)23)25-22(27)16-3-6-18(7-4-16)26-11-2-12-30(26,28)29/h1-2,4-11,14-16H,3,12-13H2,(H,28,30);3-10,13-14H,2,11-12H2,(H,26,28);2*3-10,13-14H,2,11-12H2,1H3,(H,25,27)
• InChIKey: BBBLLWJXZPVFNL-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 321.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1814.78
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 157293440) is N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)nc1.Cc1ccnc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)c1.O=C(Nc1cc(Cl)cc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1.[C-]#[N+]c1ccc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)nc1.

What is the InChIKey of N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is BBBLLWJXZPVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3S.C22H17ClN4O3S.2C22H20ClN3O3S/c26-20-14-19(24-23-5-2-1-4-17(23)10-11-27-24)15-21(16-20)28-25(30)18-6-8-22(9-7-18)29-12-3-13-33(29,31)32;1-24-17-6-10-21(25-14-17)19-13-16(5-9-20(19)23)26-22(28)15-3-7-18(8-4-15)27-11-2-12-31(27,29)30;1-15-3-10-21(24-14-15)19-13-17(6-9-20(19)23)25-22(27)16-4-7-18(8-5-16)26-11-2-12-30(26,28)29;1-15-9-10-24-21(13-15)19-14-17(5-8-20(19)23)25-22(27)16-3-6-18(7-4-16)26-11-2-12-30(26,28)29/h1-2,4-11,14-16H,3,12-13H2,(H,28,30);3-10,13-14H,2,11-12H2,(H,26,28);2*3-10,13-14H,2,11-12H2,1H3,(H,25,27).

What are the key properties of N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 1814.78 g/mol, XLogP of 19.10, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(5-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 157293440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).