2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

C100H78Cl6FN13O12S4 — CID 158984882

About 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 158984882) has the molecular formula C100H78Cl6FN13O12S4 and a molecular weight of 2013.79 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
• PubChem CID: 158984882
• Molecular Formula: C100H78Cl6FN13O12S4
• Molecular Weight: 2013.79 g/mol
• Exact Mass: 2009.29
• IUPAC Name: 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
• SMILES: Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1.O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1F
• InChI: InChI=1S/C26H22ClN3O3S.C25H19Cl2N3O3S.C25H19ClFN3O3S.C24H18Cl2N4O3S/c1-17-15-20(30-13-4-14-34(30,32)33)8-9-21(17)26(31)29-19-7-10-24(27)23(16-19)25-22-6-3-2-5-18(22)11-12-28-25;2*26-22-9-6-17(14-21(22)24-19-5-2-1-4-16(19)10-11-28-24)29-25(31)20-8-7-18(15-23(20)27)30-12-3-13-34(30,32)33;25-20-6-3-16(12-19(20)23-7-2-15-14-27-9-8-22(15)29-23)28-24(31)18-5-4-17(13-21(18)26)30-10-1-11-34(30,32)33/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,29,31);2*1-2,4-11,14-15H,3,12-13H2,(H,29,31);2-9,12-14H,1,10-11H2,(H,28,31)
• InChIKey: JPLIUUDFYLMAHA-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 330.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.79
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The IUPAC name of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 158984882) is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

What is the SMILES notation for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The canonical SMILES for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1.O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1F.

What is the InChIKey of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

The InChIKey is JPLIUUDFYLMAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S.C25H19Cl2N3O3S.C25H19ClFN3O3S.C24H18Cl2N4O3S/c1-17-15-20(30-13-4-14-34(30,32)33)8-9-21(17)26(31)29-19-7-10-24(27)23(16-19)25-22-6-3-2-5-18(22)11-12-28-25;2*26-22-9-6-17(14-21(22)24-19-5-2-1-4-16(19)10-11-28-24)29-25(31)20-8-7-18(15-23(20)27)30-12-3-13-34(30,32)33;25-20-6-3-16(12-19(20)23-7-2-15-14-27-9-8-22(15)29-23)28-24(31)18-5-4-17(13-21(18)26)30-10-1-11-34(30,32)33/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,29,31);2*1-2,4-11,14-15H,3,12-13H2,(H,29,31);2-9,12-14H,1,10-11H2,(H,28,31).

What are the key properties of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?

2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 2013.79 g/mol, XLogP of 22.54, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 158984882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).