5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

C61H63BBr2Cl2N10O11S5 — CID 158525893

About 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 158525893) has the molecular formula C61H63BBr2Cl2N10O11S5 and a molecular weight of 1514.09 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 158525893
• Molecular Formula: C61H63BBr2Cl2N10O11S5
• Molecular Weight: 1514.09 g/mol
• Exact Mass: 1510.11
• IUPAC Name: 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CCO.Cc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1.Nc1cncc(Br)c1.O=S(=O)(Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/C21H18N4O3S2.C15H19BN2O3S.C12H11BrN2O2S.C6H4Cl2O2S.C5H5BrN2.C2H6O/c1-13-3-6-18(7-4-13)30(27,28)25-17-9-16(11-22-12-17)15-5-8-19-20(10-15)29-21(24-19)23-14(2)26;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-9-2-4-12(5-3-9)18(16,17)15-11-6-10(13)7-14-8-11;7-5-1-3-6(4-2-5)11(8,9)10;6-4-1-5(7)3-8-2-4;1-2-3/h3-12,25H,1-2H3,(H,23,24,26);6-8H,1-5H3,(H,17,18,19);2-8,15H,1H3;1-4H;1-3H,7H2;3H,2H2,1H3
• InChIKey: HMTVMCPYZKLFJC-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 313.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1514.09
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 158525893) is 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cncc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CCO.Cc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1.Nc1cncc(Br)c1.O=S(=O)(Cl)c1ccc(Cl)cc1.

What is the InChIKey of 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is HMTVMCPYZKLFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2.C15H19BN2O3S.C12H11BrN2O2S.C6H4Cl2O2S.C5H5BrN2.C2H6O/c1-13-3-6-18(7-4-13)30(27,28)25-17-9-16(11-22-12-17)15-5-8-19-20(10-15)29-21(24-19)23-14(2)26;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-9-2-4-12(5-3-9)18(16,17)15-11-6-10(13)7-14-8-11;7-5-1-3-6(4-2-5)11(8,9)10;6-4-1-5(7)3-8-2-4;1-2-3/h3-12,25H,1-2H3,(H,23,24,26);6-8H,1-5H3,(H,17,18,19);2-8,15H,1H3;1-4H;1-3H,7H2;3H,2H2,1H3.

What are the key properties of 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1514.09 g/mol, XLogP of 13.63, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-4-methylbenzenesulfonamide;4-chlorobenzenesulfonyl chloride;ethanol;N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 158525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).