4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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

C65H64BBr2Cl3N10O13S5 — CID 158687241

About 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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

4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 158687241) has the molecular formula C65H64BBr2Cl3N10O13S5 and a molecular weight of 1630.60 g/mol. Its IUPAC name is 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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: 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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: 158687241
• Molecular Formula: C65H64BBr2Cl3N10O13S5
• Molecular Weight: 1630.60 g/mol
• Exact Mass: 1626.08
• IUPAC Name: 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(C(C)(C)O)cc4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1.CC(C)(O)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1
• InChI: InChI=1S/C23H21ClN4O4S2.C15H19BN2O3S.C14H14BrClN2O3S.C13H10BrClN2O3S/c1-13(29)26-22-27-18-9-4-14(11-20(18)33-22)15-10-19(21(24)25-12-15)28-34(31,32)17-7-5-16(6-8-17)23(2,3)30;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;1-14(2,19)9-3-5-11(6-4-9)22(20,21)18-12-7-10(15)8-17-13(12)16;1-8(18)9-2-4-11(5-3-9)21(19,20)17-12-6-10(14)7-16-13(12)15/h4-12,28,30H,1-3H3,(H,26,27,29);6-8H,1-5H3,(H,17,18,19);3-8,18-19H,1-2H3;2-7,17H,1H3
• InChIKey: IFWWMGHHXLZVTF-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 337.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1630.60
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

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 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 158687241) is 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(C(C)(C)O)cc4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1.CC(C)(O)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1.

What is the InChIKey of 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 IFWWMGHHXLZVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S2.C15H19BN2O3S.C14H14BrClN2O3S.C13H10BrClN2O3S/c1-13(29)26-22-27-18-9-4-14(11-20(18)33-22)15-10-19(21(24)25-12-15)28-34(31,32)17-7-5-16(6-8-17)23(2,3)30;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;1-14(2,19)9-3-5-11(6-4-9)22(20,21)18-12-7-10(15)8-17-13(12)16;1-8(18)9-2-4-11(5-3-9)21(19,20)17-12-6-10(14)7-16-13(12)15/h4-12,28,30H,1-3H3,(H,26,27,29);6-8H,1-5H3,(H,17,18,19);3-8,18-19H,1-2H3;2-7,17H,1H3.

What are the key properties of 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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?

4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 1630.60 g/mol, XLogP of 14.58, 16 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-(5-bromo-2-chloro-3-pyridinyl)benzenesulfonamide;N-(5-bromo-2-chloro-3-pyridinyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;N-[6-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]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 158687241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).