2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide

C99H82Cl5FN18O12S4 — CID 157225817

About 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide (PubChem CID 157225817) has the molecular formula C99H82Cl5FN18O12S4 and a molecular weight of 2040.39 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
• PubChem CID: 157225817
• Molecular Formula: C99H82Cl5FN18O12S4
• Molecular Weight: 2040.39 g/mol
• Exact Mass: 2036.37
• IUPAC Name: 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ccccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ccccc5n4)c3)c(F)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nccc5ncccc45)c3)c(Cl)c2)S1(=O)=O.Cc1ccc(NC(=O)c2ccc(N3CCN(C)S3(=O)=O)cc2)cc1-c1ncc2ccccc2n1
• InChI: InChI=1S/C25H20Cl2N4O3S.C25H20ClFN4O3S.C25H23N5O3S.C24H19Cl2N5O3S/c2*1-30-12-13-31(35(30,33)34)18-8-9-19(22(27)15-18)25(32)28-17-7-10-21(26)20(14-17)24-11-6-16-4-2-3-5-23(16)29-24;1-17-7-10-20(15-22(17)24-26-16-19-5-3-4-6-23(19)28-24)27-25(31)18-8-11-21(12-9-18)30-14-13-29(2)34(30,32)33;1-30-11-12-31(35(30,33)34)16-5-6-17(21(26)14-16)24(32)29-15-4-7-20(25)19(13-15)23-18-3-2-9-27-22(18)8-10-28-23/h2*2-11,14-15H,12-13H2,1H3,(H,28,32);3-12,15-16H,13-14H2,1-2H3,(H,27,31);2-10,13-14H,11-12H2,1H3,(H,29,32)
• InChIKey: ATNHWTGOUHPCNC-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 356.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2040.39
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide (CID 157225817) is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide.

What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ccccc5n4)c3)c(Cl)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5ccccc5n4)c3)c(F)c2)S1(=O)=O.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nccc5ncccc45)c3)c(Cl)c2)S1(=O)=O.Cc1ccc(NC(=O)c2ccc(N3CCN(C)S3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.

What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

The InChIKey is ATNHWTGOUHPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O3S.C25H20ClFN4O3S.C25H23N5O3S.C24H19Cl2N5O3S/c2*1-30-12-13-31(35(30,33)34)18-8-9-19(22(27)15-18)25(32)28-17-7-10-21(26)20(14-17)24-11-6-16-4-2-3-5-23(16)29-24;1-17-7-10-20(15-22(17)24-26-16-19-5-3-4-6-23(19)28-24)27-25(31)18-8-11-21(12-9-18)30-14-13-29(2)34(30,32)33;1-30-11-12-31(35(30,33)34)16-5-6-17(21(26)14-16)24(32)29-15-4-7-20(25)19(13-15)23-18-3-2-9-27-22(18)8-10-28-23/h2*2-11,14-15H,12-13H2,1H3,(H,28,32);3-12,15-16H,13-14H2,1-2H3,(H,27,31);2-10,13-14H,11-12H2,1H3,(H,29,32).

What are the key properties of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide?

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide has a molecular weight of 2040.39 g/mol, XLogP of 19.11, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide is sourced from PubChem (CID 157225817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).