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

C93H80Cl4N20O15S7 — CID 157275576

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

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide (PubChem CID 157275576) has the molecular formula C93H80Cl4N20O15S7 and a molecular weight of 2084.07 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide
• PubChem CID: 157275576
• Molecular Formula: C93H80Cl4N20O15S7
• Molecular Weight: 2084.07 g/mol
• Exact Mass: 2080.29
• IUPAC Name: N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide
• SMILES: CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccc5cnccc5n4)c3)cc2)S1(=O)=O.CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)cc2)S1(=O)=O.CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)cc2)S1(=O)=O.O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1
• InChI: InChI=1S/C24H20ClN5O3S.3C23H20ClN5O4S2/c25-21-9-6-17(15-20(21)23-19-3-1-11-26-22(19)10-13-27-23)29-24(31)16-4-7-18(8-5-16)30-14-2-12-28-34(30,32)33;1-28-12-13-29(35(28,32)33)18-4-6-19(7-5-18)34(30,31)27-17-3-8-21(24)20(14-17)23-9-2-16-15-25-11-10-22(16)26-23;1-28-13-14-29(35(28,32)33)17-5-7-18(8-6-17)34(30,31)27-16-4-9-20(24)19(15-16)21-10-11-22-23(26-21)3-2-12-25-22;1-28-12-13-29(35(28,32)33)18-7-9-19(10-8-18)34(30,31)27-17-6-11-21(24)20(14-17)23-25-15-16-4-2-3-5-22(16)26-23/h1,3-11,13,15,28H,2,12,14H2,(H,29,31);2-11,14-15,27H,12-13H2,1H3;2-12,15,27H,13-14H2,1H3;2-11,14-15,27H,12-13H2,1H3
• InChIKey: AZBBVSMHXFAIMP-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 442.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.07
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide (CID 157275576) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide.

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

The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide is CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccc5cnccc5n4)c3)cc2)S1(=O)=O.CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)cc2)S1(=O)=O.CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ncc5ccccc5n4)c3)cc2)S1(=O)=O.O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1.

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

The InChIKey is AZBBVSMHXFAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S.3C23H20ClN5O4S2/c25-21-9-6-17(15-20(21)23-19-3-1-11-26-22(19)10-13-27-23)29-24(31)16-4-7-18(8-5-16)30-14-2-12-28-34(30,32)33;1-28-12-13-29(35(28,32)33)18-4-6-19(7-5-18)34(30,31)27-17-3-8-21(24)20(14-17)23-9-2-16-15-25-11-10-22(16)26-23;1-28-13-14-29(35(28,32)33)17-5-7-18(8-6-17)34(30,31)27-16-4-9-20(24)19(15-16)21-10-11-22-23(26-21)3-2-12-25-22;1-28-12-13-29(35(28,32)33)18-7-9-19(10-8-18)34(30,31)27-17-6-11-21(24)20(14-17)23-25-15-16-4-2-3-5-22(16)26-23/h1,3-11,13,15,28H,2,12,14H2,(H,29,31);2-11,14-15,27H,12-13H2,1H3;2-12,15,27H,13-14H2,1H3;2-11,14-15,27H,12-13H2,1H3.

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

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide has a molecular weight of 2084.07 g/mol, XLogP of 15.49, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 157275576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).