N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C86H88B3Br3Cl6N14O18S7 — CID 158951355

About N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158951355) has the molecular formula C86H88B3Br3Cl6N14O18S7 and a molecular weight of 2315.06 g/mol. Its IUPAC name is N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158951355
• Molecular Formula: C86H88B3Br3Cl6N14O18S7
• Molecular Weight: 2315.06 g/mol
• Exact Mass: 2308.04
• IUPAC Name: N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)nc2s1.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(Cl)c(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c2)OC1(C)C.Nc1cc(Br)cnc1Cl.O=S(=O)(c1ccccc1)N(c1cc(Br)cnc1Cl)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C23H24BClN2O6S2.C19H14ClN5O3S2.C17H12BrClN2O4S2.C12H24B2O4.C8H6BrN3OS.C5H4BrClN2.C2H4Cl2/c1-22(2)23(3,4)33-24(32-22)17-15-20(21(25)26-16-17)27(34(28,29)18-11-7-5-8-12-18)35(30,31)19-13-9-6-10-14-19;1-11(26)22-19-24-15-8-7-14(23-18(15)29-19)12-9-16(17(20)21-10-12)25-30(27,28)13-5-3-2-4-6-13;18-13-11-16(17(19)20-12-13)21(26(22,23)14-7-3-1-4-8-14)27(24,25)15-9-5-2-6-10-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h5-16H,1-4H3;2-10,25H,1H3,(H,22,24,26);1-12H;1-8H3;2-3H,1H3,(H,10,11,13);1-2H,8H2;2H,1H3
• InChIKey: JLLVCGPNLYIXKH-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 431.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.06
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158951355) is N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)nc2s1.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(Cl)c(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c2)OC1(C)C.Nc1cc(Br)cnc1Cl.O=S(=O)(c1ccccc1)N(c1cc(Br)cnc1Cl)S(=O)(=O)c1ccccc1.

What is the InChIKey of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JLLVCGPNLYIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BClN2O6S2.C19H14ClN5O3S2.C17H12BrClN2O4S2.C12H24B2O4.C8H6BrN3OS.C5H4BrClN2.C2H4Cl2/c1-22(2)23(3,4)33-24(32-22)17-15-20(21(25)26-16-17)27(34(28,29)18-11-7-5-8-12-18)35(30,31)19-13-9-6-10-14-19;1-11(26)22-19-24-15-8-7-14(23-18(15)29-19)12-9-16(17(20)21-10-12)25-30(27,28)13-5-3-2-4-6-13;18-13-11-16(17(19)20-12-13)21(26(22,23)14-7-3-1-4-8-14)27(24,25)15-9-5-2-6-10-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;6-3-1-4(8)5(7)9-2-3;1-2(3)4/h5-16H,1-4H3;2-10,25H,1H3,(H,22,24,26);1-12H;1-8H3;2-3H,1H3,(H,10,11,13);1-2H,8H2;2H,1H3.

What are the key properties of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2315.06 g/mol, XLogP of 20.42, 18 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-(benzenesulfonyl)-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(benzenesulfonyl)-N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;1,1-dichloroethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158951355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).