2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide

C96H76Cl6F2N20O12S4 — CID 157063915

About 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide

2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (PubChem CID 157063915) has the molecular formula C96H76Cl6F2N20O12S4 and a molecular weight of 2080.77 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
• PubChem CID: 157063915
• Molecular Formula: C96H76Cl6F2N20O12S4
• Molecular Weight: 2080.77 g/mol
• Exact Mass: 2076.29
• IUPAC Name: 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)c(F)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)c(F)c2)S1(=O)=O
• InChI: InChI=1S/2C24H19Cl2N5O3S.2C24H19ClFN5O3S/c1-30-11-12-31(35(30,33)34)16-5-6-17(20(26)14-16)24(32)28-15-4-7-19(25)18(13-15)21-8-9-22-23(29-21)3-2-10-27-22;1-30-10-11-31(35(30,33)34)17-7-8-18(21(26)13-17)24(32)28-16-6-9-20(25)19(12-16)23-27-14-15-4-2-3-5-22(15)29-23;1-30-11-12-31(35(30,33)34)16-5-6-17(20(26)14-16)24(32)28-15-4-7-19(25)18(13-15)21-8-9-22-23(29-21)3-2-10-27-22;1-30-10-11-31(35(30,33)34)17-7-8-18(21(26)13-17)24(32)28-16-6-9-20(25)19(12-16)23-27-14-15-4-2-3-5-22(15)29-23/h2-10,13-14H,11-12H2,1H3,(H,28,32);2-9,12-14H,10-11H2,1H3,(H,28,32);2-10,13-14H,11-12H2,1H3,(H,28,32);2-9,12-14H,10-11H2,1H3,(H,28,32)
• InChIKey: ABQMJIRLCKRJMT-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 382.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.77
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (CID 157063915) is 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)c(F)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)c(F)c2)S1(=O)=O.

What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?

The InChIKey is ABQMJIRLCKRJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19Cl2N5O3S.2C24H19ClFN5O3S/c1-30-11-12-31(35(30,33)34)16-5-6-17(20(26)14-16)24(32)28-15-4-7-19(25)18(13-15)21-8-9-22-23(29-21)3-2-10-27-22;1-30-10-11-31(35(30,33)34)17-7-8-18(21(26)13-17)24(32)28-16-6-9-20(25)19(12-16)23-27-14-15-4-2-3-5-22(15)29-23;1-30-11-12-31(35(30,33)34)16-5-6-17(20(26)14-16)24(32)28-15-4-7-19(25)18(13-15)21-8-9-22-23(29-21)3-2-10-27-22;1-30-10-11-31(35(30,33)34)17-7-8-18(21(26)13-17)24(32)28-16-6-9-20(25)19(12-16)23-27-14-15-4-2-3-5-22(15)29-23/h2-10,13-14H,11-12H2,1H3,(H,28,32);2-9,12-14H,10-11H2,1H3,(H,28,32);2-10,13-14H,11-12H2,1H3,(H,28,32);2-9,12-14H,10-11H2,1H3,(H,28,32).

What are the key properties of 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?

2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide has a molecular weight of 2080.77 g/mol, XLogP of 18.38, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is sourced from PubChem (CID 157063915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).