N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C62H88B3Br2Cl5N12O18S7 — CID 162021710

About N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162021710) has the molecular formula C62H88B3Br2Cl5N12O18S7 and a molecular weight of 1883.43 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 162021710
• Molecular Formula: C62H88B3Br2Cl5N12O18S7
• Molecular Weight: 1883.43 g/mol
• Exact Mass: 1878.15
• IUPAC Name: N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCS(=O)(=O)N(c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl)S(=O)(=O)CC.CCS(=O)(=O)N(c1cc(Br)cnc1Cl)S(=O)(=O)CC.CCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(C)=O)sc3n2)cnc1Cl
• InChI: InChI=1S/C15H24BClN2O6S2.C15H14ClN5O3S2.C12H24B2O4.C9H12BrClN2O4S2.C8H6BrN3OS.C2H4Cl2.CH4/c1-7-26(20,21)19(27(22,23)8-2)12-9-11(10-18-13(12)17)16-24-14(3,4)15(5,6)25-16;1-3-26(23,24)21-12-6-9(7-17-13(12)16)10-4-5-11-14(19-10)25-15(20-11)18-8(2)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-18(14,15)13(19(16,17)4-2)8-5-7(10)6-12-9(8)11;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;1-2(3)4;/h9-10H,7-8H2,1-6H3;4-7,21H,3H2,1-2H3,(H,18,20,22);1-8H3;5-6H,3-4H2,1-2H3;2-3H,1H3,(H,10,11,13);2H,1H3;1H4
• InChIKey: YUVGNAPMXQTNCT-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 393.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.43
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162021710) is N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC(=O)Nc1nc2ccc(Br)nc2s1.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCS(=O)(=O)N(c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl)S(=O)(=O)CC.CCS(=O)(=O)N(c1cc(Br)cnc1Cl)S(=O)(=O)CC.CCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(C)=O)sc3n2)cnc1Cl.

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

The InChIKey is YUVGNAPMXQTNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BClN2O6S2.C15H14ClN5O3S2.C12H24B2O4.C9H12BrClN2O4S2.C8H6BrN3OS.C2H4Cl2.CH4/c1-7-26(20,21)19(27(22,23)8-2)12-9-11(10-18-13(12)17)16-24-14(3,4)15(5,6)25-16;1-3-26(23,24)21-12-6-9(7-17-13(12)16)10-4-5-11-14(19-10)25-15(20-11)18-8(2)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-18(14,15)13(19(16,17)4-2)8-5-7(10)6-12-9(8)11;1-4(13)10-8-11-5-2-3-6(9)12-7(5)14-8;1-2(3)4;/h9-10H,7-8H2,1-6H3;4-7,21H,3H2,1-2H3,(H,18,20,22);1-8H3;5-6H,3-4H2,1-2H3;2-3H,1H3,(H,10,11,13);2H,1H3;1H4.

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

N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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 1883.43 g/mol, XLogP of 13.78, 18 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-chloro-3-pyridinyl)-N-ethylsulfonylethanesulfonamide;N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;N-[5-[6-chloro-5-(ethylsulfonylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-ethylsulfonylethanesulfonamide;1,1-dichloroethane;methane;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 162021710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).