5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C63H84BBr3ClN11O13S4 — CID 159080083

About 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 159080083) has the molecular formula C63H84BBr3ClN11O13S4 and a molecular weight of 1617.67 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 159080083
• Molecular Formula: C63H84BBr3ClN11O13S4
• Molecular Weight: 1617.67 g/mol
• Exact Mass: 1613.25
• IUPAC Name: 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: C1CCOC1.CC(=O)Nc1cc(-c2cnc(C)c(N(C)S(=O)(=O)C3CC3)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1CS(=O)(=O)C1CC1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N(C)S(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1
• InChI: InChI=1S/C17H20N4O3S.C13H19BN2O3.C10H13BrN2O2S.C10H12BrNO2S.C6H7BrN2.C4H8O.C3H5ClO2S/c1-11-16(21(3)25(23,24)15-4-5-15)8-14(10-19-11)13-6-7-18-17(9-13)20-12(2)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-7-10(5-8(11)6-12-7)13(2)16(14,15)9-3-4-9;1-7-8(4-9(11)5-12-7)6-15(13,14)10-2-3-10;1-4-6(8)2-5(7)3-9-4;1-2-4-5-3-1;4-7(5,6)3-1-2-3/h6-10,15H,4-5H2,1-3H3,(H,18,20,22);6-8H,1-5H3,(H,15,16,17);5-6,9H,3-4H2,1-2H3;4-5,10H,2-3,6H2,1H3;2-3H,8H2,1H3;1-4H2;3H,1-2H2
• InChIKey: KATAKLAOPAWXHJ-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 332.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.67
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 159080083) is 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is C1CCOC1.CC(=O)Nc1cc(-c2cnc(C)c(N(C)S(=O)(=O)C3CC3)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1CS(=O)(=O)C1CC1.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N(C)S(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1.

What is the InChIKey of 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is KATAKLAOPAWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S.C13H19BN2O3.C10H13BrN2O2S.C10H12BrNO2S.C6H7BrN2.C4H8O.C3H5ClO2S/c1-11-16(21(3)25(23,24)15-4-5-15)8-14(10-19-11)13-6-7-18-17(9-13)20-12(2)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-7-10(5-8(11)6-12-7)13(2)16(14,15)9-3-4-9;1-7-8(4-9(11)5-12-7)6-15(13,14)10-2-3-10;1-4-6(8)2-5(7)3-9-4;1-2-4-5-3-1;4-7(5,6)3-1-2-3/h6-10,15H,4-5H2,1-3H3,(H,18,20,22);6-8H,1-5H3,(H,15,16,17);5-6,9H,3-4H2,1-2H3;4-5,10H,2-3,6H2,1H3;2-3H,8H2,1H3;1-4H2;3H,1-2H2.

What are the key properties of 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1617.67 g/mol, XLogP of 11.24, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 159080083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).