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

C99H79Cl2F2N13O12S4 — CID 158606981

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

2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 158606981) has the molecular formula C99H79Cl2F2N13O12S4 and a molecular weight of 1879.97 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
• PubChem CID: 158606981
• Molecular Formula: C99H79Cl2F2N13O12S4
• Molecular Weight: 1879.97 g/mol
• Exact Mass: 1877.42
• IUPAC Name: 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1F
• InChI: InChI=1S/2C25H20ClN3O3S.C25H20FN3O3S.C24H19FN4O3S/c26-23-16-20(29-13-4-14-33(29,31)32)9-10-22(23)25(30)28-19-7-3-6-18(15-19)24-21-8-2-1-5-17(21)11-12-27-24;26-22-12-9-19(16-21(22)24-13-8-17-4-1-2-5-23(17)28-24)27-25(30)18-6-10-20(11-7-18)29-14-3-15-33(29,31)32;26-23-16-20(29-13-4-14-33(29,31)32)9-10-22(23)25(30)28-19-7-3-6-18(15-19)24-21-8-2-1-5-17(21)11-12-27-24;25-21-14-19(29-11-2-12-33(29,31)32)6-7-20(21)24(30)27-18-4-1-3-16(13-18)22-8-5-17-15-26-10-9-23(17)28-22/h1-3,5-12,15-16H,4,13-14H2,(H,28,30);1-2,4-13,16H,3,14-15H2,(H,27,30);1-3,5-12,15-16H,4,13-14H2,(H,28,30);1,3-10,13-15H,2,11-12H2,(H,27,30)
• InChIKey: HWISNNFZZDUDCZ-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 330.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.97
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (CID 158606981) is 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

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

The canonical SMILES for 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(Cl)c(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1F.

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

The InChIKey is HWISNNFZZDUDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H20ClN3O3S.C25H20FN3O3S.C24H19FN4O3S/c26-23-16-20(29-13-4-14-33(29,31)32)9-10-22(23)25(30)28-19-7-3-6-18(15-19)24-21-8-2-1-5-17(21)11-12-27-24;26-22-12-9-19(16-21(22)24-13-8-17-4-1-2-5-23(17)28-24)27-25(30)18-6-10-20(11-7-18)29-14-3-15-33(29,31)32;26-23-16-20(29-13-4-14-33(29,31)32)9-10-22(23)25(30)28-19-7-3-6-18(15-19)24-21-8-2-1-5-17(21)11-12-27-24;25-21-14-19(29-11-2-12-33(29,31)32)6-7-20(21)24(30)27-18-4-1-3-16(13-18)22-8-5-17-15-26-10-9-23(17)28-22/h1-3,5-12,15-16H,4,13-14H2,(H,28,30);1-2,4-13,16H,3,14-15H2,(H,27,30);1-3,5-12,15-16H,4,13-14H2,(H,28,30);1,3-10,13-15H,2,11-12H2,(H,27,30).

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

2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 1879.97 g/mol, XLogP of 19.76, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 158606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).