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

C81H96BBr5ClN13O13S5 — CID 158312820

About 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158312820) has the molecular formula C81H96BBr5ClN13O13S5 and a molecular weight of 2065.86 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 158312820
• Molecular Formula: C81H96BBr5ClN13O13S5
• Molecular Weight: 2065.86 g/mol
• Exact Mass: 2059.16
• IUPAC Name: 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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(B2OC(C)(C)C(C)(C)O2)ccn1.CNC.Cc1ncc(Br)cc1CS(=O)(=O)/C=C/c1ccccc1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CC(N(C)C)CS1(=O)=O.Cc1ncc(Br)cc1N1CC=CS1(=O)=O.O=S(=O)(Cl)/C=C/c1ccccc1
• InChI: InChI=1S/C17H17BrN2O2S.C15H14BrNO2S.C13H19BN2O3.C11H16BrN3O2S.C9H9BrN2O2S.C8H7ClO2S.C6H7BrN2.C2H7N/c1-3-10-20(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;1-8-11(4-9(12)5-13-8)15-6-10(14(2)3)7-18(15,16)17;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/h3-9,11-13H,1,10H2,2H3;2-10H,11H2,1H3;6-8H,1-5H3,(H,15,16,17);4-5,10H,6-7H2,1-3H3;2,4-6H,3H2,1H3;1-7H;2-3H,8H2,1H3;3H,1-2H3/b11-9+;8-7+;;;;7-6+
• InChIKey: GNWQTBYJORCNIL-DDEFQQKPSA-N
• XLogP: 16.07
• TPSA: 346.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.86
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;N-methylmethanamine;(E)-2-phenylethenesulfonyl chloride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158312820) is 5-bromo-2-methyl-3-[[(E)-2-phenylethenyl]sulfonylmethyl]pyridine;5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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(B2OC(C)(C)C(C)(C)O2)ccn1.CNC.Cc1ncc(Br)cc1CS(=O)(=O)/C=C/c1ccccc1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CC(N(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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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 GNWQTBYJORCNIL-DDEFQQKPSA-N. The full InChI is InChI=1S/C17H17BrN2O2S.C15H14BrNO2S.C13H19BN2O3.C11H16BrN3O2S.C9H9BrN2O2S.C8H7ClO2S.C6H7BrN2.C2H7N/c1-3-10-20(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;1-8-11(4-9(12)5-13-8)15-6-10(14(2)3)7-18(15,16)17;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/h3-9,11-13H,1,10H2,2H3;2-10H,11H2,1H3;6-8H,1-5H3,(H,15,16,17);4-5,10H,6-7H2,1-3H3;2,4-6H,3H2,1H3;1-7H;2-3H,8H2,1H3;3H,1-2H3/b11-9+;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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 2065.86 g/mol, XLogP of 16.07, 17 rotatable bonds, 3 hydrogen bond donors, and 22 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;2-(5-bromo-2-methyl-3-pyridinyl)-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine;(E)-N-(5-bromo-2-methyl-3-pyridinyl)-2-phenyl-N-prop-2-enylethenesulfonamide;2-(5-bromo-2-methyl-3-pyridinyl)-3H-1,2-thiazole 1,1-dioxide;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 158312820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).