bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide

C59H83BBr3N11O6S2 — CID 158746821

About bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide

bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 158746821) has the molecular formula C59H83BBr3N11O6S2 and a molecular weight of 1357.04 g/mol. Its IUPAC name is bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
• PubChem CID: 158746821
• Molecular Formula: C59H83BBr3N11O6S2
• Molecular Weight: 1357.04 g/mol
• Exact Mass: 1353.36
• IUPAC Name: bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
• SMILES: CN(C)c1cccc(Br)n1.CN(C)c1cccc(Br)n1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cccc(N(C)C)n2)c1.CNS(=O)(=O)c1ccc(NC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1.Nc1cccc(Br)n1
• InChI: InChI=1S/C21H29N3O2S.C19H31BN2O4S.2C7H9BrN2.C5H5BrN2/c1-22-27(25,26)18-13-12-17(14-16-8-5-4-6-9-16)19(15-18)20-10-7-11-21(23-20)24(2)3;1-18(2)19(3,4)26-20(25-18)16-13-15(27(23,24)21-5)11-12-17(16)22-14-9-7-6-8-10-14;2*1-10(2)7-5-3-4-6(8)9-7;6-4-2-1-3-5(7)8-4/h7,10-13,15-16,22H,4-6,8-9,14H2,1-3H3;11-14,21-22H,6-10H2,1-5H3;2*3-5H,1-2H3;1-3H,(H2,7,8)
• InChIKey: IMZJMYTYJVWERL-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 210.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.04
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?

The IUPAC name of bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide (CID 158746821) is bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide.

What is the SMILES notation for bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?

The canonical SMILES for bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide is CN(C)c1cccc(Br)n1.CN(C)c1cccc(Br)n1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cccc(N(C)C)n2)c1.CNS(=O)(=O)c1ccc(NC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1.Nc1cccc(Br)n1.

What is the InChIKey of bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?

The InChIKey is IMZJMYTYJVWERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S.C19H31BN2O4S.2C7H9BrN2.C5H5BrN2/c1-22-27(25,26)18-13-12-17(14-16-8-5-4-6-9-16)19(15-18)20-10-7-11-21(23-20)24(2)3;1-18(2)19(3,4)26-20(25-18)16-13-15(27(23,24)21-5)11-12-17(16)22-14-9-7-6-8-10-14;2*1-10(2)7-5-3-4-6(8)9-7;6-4-2-1-3-5(7)8-4/h7,10-13,15-16,22H,4-6,8-9,14H2,1-3H3;11-14,21-22H,6-10H2,1-5H3;2*3-5H,1-2H3;1-3H,(H2,7,8).

What are the key properties of bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?

bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 1357.04 g/mol, XLogP of 11.73, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 158746821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).