5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C100H120BBr5ClN17O16S6 — CID 162071730

About 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 162071730) has the molecular formula C100H120BBr5ClN17O16S6 and a molecular weight of 2454.35 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 162071730
• Molecular Formula: C100H120BBr5ClN17O16S6
• Molecular Weight: 2454.35 g/mol
• Exact Mass: 2447.31
• IUPAC Name: 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: C=CCN(c1cc(Br)cnc1C)S(=O)(=O)/C=C/c1ccccc1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CNC.Cc1ncc(Br)cc1CS(=O)(=O)/C=C/c1ccccc1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CC(C(C)C)CS1(=O)=O.Cc1ncc(Br)cc1N1CC=CS1(=O)=O.O=S(=O)(Cl)/C=C/c1ccccc1
• InChI: InChI=1S/C18H23N5O3S.C17H17BrN2O2S.C15H14BrNO2S.C13H19BN2O3.C12H17BrN2O2S.C9H9BrN2O2S.C8H7ClO2S.C6H7BrN2.C2H7N/c1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24;1-3-10-20(17-12-16(18)13-19-14(17)2)23(21,22)11-9-15-7-5-4-6-8-15;1-12-14(9-15(16)10-17-12)11-20(18,19)8-7-13-5-3-2-4-6-13;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8(2)10-6-15(18(16,17)7-10)12-4-11(13)5-14-9(12)3;1-7-9(5-8(10)6-11-7)12-3-2-4-15(12,13)14;9-12(10,11)7-6-8-4-2-1-3-5-8;1-4-6(8)2-5(7)3-9-4;1-3-2/h5-9,16H,10-11H2,1-4H3,(H,19,21,24);3-9,11-13H,1,10H2,2H3;2-10H,11H2,1H3;6-8H,1-5H3,(H,15,16,17);4-5,8,10H,6-7H2,1-3H3;2,4-6H,3H2,1H3;1-7H;2-3H,8H2,1H3;3H,1-2H3/b;11-9+;8-7+;;;;7-6+
• InChIKey: ZBEHOZLMOWQLGS-LIIYNZDESA-N
• XLogP: 18.90
• TPSA: 438.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2454.35
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 162071730) is 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is C=CCN(c1cc(Br)cnc1C)S(=O)(=O)/C=C/c1ccccc1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CNC.Cc1ncc(Br)cc1CS(=O)(=O)/C=C/c1ccccc1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CC(C(C)C)CS1(=O)=O.Cc1ncc(Br)cc1N1CC=CS1(=O)=O.O=S(=O)(Cl)/C=C/c1ccccc1.

What is the InChIKey of 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is ZBEHOZLMOWQLGS-LIIYNZDESA-N. The full InChI is InChI=1S/C18H23N5O3S.C17H17BrN2O2S.C15H14BrNO2S.C13H19BN2O3.C12H17BrN2O2S.C9H9BrN2O2S.C8H7ClO2S.C6H7BrN2.C2H7N/c1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24;1-3-10-20(17-12-16(18)13-19-14(17)2)23(21,22)11-9-15-7-5-4-6-8-15;1-12-14(9-15(16)10-17-12)11-20(18,19)8-7-13-5-3-2-4-6-13;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8(2)10-6-15(18(16,17)7-10)12-4-11(13)5-14-9(12)3;1-7-9(5-8(10)6-11-7)12-3-2-4-15(12,13)14;9-12(10,11)7-6-8-4-2-1-3-5-8;1-4-6(8)2-5(7)3-9-4;1-3-2/h5-9,16H,10-11H2,1-4H3,(H,19,21,24);3-9,11-13H,1,10H2,2H3;2-10H,11H2,1H3;6-8H,1-5H3,(H,15,16,17);4-5,8,10H,6-7H2,1-3H3;2,4-6H,3H2,1H3;1-7H;2-3H,8H2,1H3;3H,1-2H3/b;11-9+;8-7+;;;;7-6+;;.

What are the key properties of 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 2454.35 g/mol, XLogP of 18.90, 21 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-4-propan-2-yl-1,2-thiazolidine 1,1-dioxide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 162071730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).