N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C88H71Cl5N16O12S4 — CID 159366944

About N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 159366944) has the molecular formula C88H71Cl5N16O12S4 and a molecular weight of 1850.17 g/mol. Its IUPAC name is N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 159366944
• Molecular Formula: C88H71Cl5N16O12S4
• Molecular Weight: 1850.17 g/mol
• Exact Mass: 1846.28
• IUPAC Name: N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2ccc(Cl)cn2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3[nH]ccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2ncnn3cccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.[C-]#[N+]c1ccnc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)c1
• InChI: InChI=1S/C23H19ClN4O3S.C22H18ClN5O3S.C22H17ClN4O3S.C21H17Cl2N3O3S/c24-19-7-4-16(14-18(19)20-8-9-21-22(27-20)10-11-25-21)26-23(29)15-2-5-17(6-3-15)28-12-1-13-32(28,30)31;23-19-13-17(28-10-3-11-32(28,30)31)7-8-18(19)22(29)26-16-5-1-4-15(12-16)21-20-6-2-9-27(20)25-14-24-21;1-24-16-9-10-25-21(14-16)19-13-17(5-8-20(19)23)26-22(28)15-3-6-18(7-4-15)27-11-2-12-31(27,29)30;22-15-4-9-20(24-13-15)18-12-16(5-8-19(18)23)25-21(27)14-2-6-17(7-3-14)26-10-1-11-30(26,28)29/h2-11,14,25H,1,12-13H2,(H,26,29);1-2,4-9,12-14H,3,10-11H2,(H,26,29);3-10,13-14H,2,11-12H2,(H,26,28);2-9,12-13H,1,10-11H2,(H,25,27)
• InChIKey: LJGCVRKVNRBKHD-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 354.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.17
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 159366944) is N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccc(Cl)cn2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3[nH]ccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2ncnn3cccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.[C-]#[N+]c1ccnc(-c2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2Cl)c1.

What is the InChIKey of N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is LJGCVRKVNRBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S.C22H18ClN5O3S.C22H17ClN4O3S.C21H17Cl2N3O3S/c24-19-7-4-16(14-18(19)20-8-9-21-22(27-20)10-11-25-21)26-23(29)15-2-5-17(6-3-15)28-12-1-13-32(28,30)31;23-19-13-17(28-10-3-11-32(28,30)31)7-8-18(19)22(29)26-16-5-1-4-15(12-16)21-20-6-2-9-27(20)25-14-24-21;1-24-16-9-10-25-21(14-16)19-13-17(5-8-20(19)23)26-22(28)15-3-6-18(7-4-15)27-11-2-12-31(27,29)30;22-15-4-9-20(24-13-15)18-12-16(5-8-19(18)23)25-21(27)14-2-6-17(7-3-14)26-10-1-11-30(26,28)29/h2-11,14,25H,1,12-13H2,(H,26,29);1-2,4-9,12-14H,3,10-11H2,(H,26,29);3-10,13-14H,2,11-12H2,(H,26,28);2-9,12-13H,1,10-11H2,(H,25,27).

What are the key properties of N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 1850.17 g/mol, XLogP of 18.11, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-pyrrolo[2,1-f][1,2,4]triazin-4-ylphenyl)benzamide;N-[4-chloro-3-(4-isocyano-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 159366944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).