4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

C69H74BBr3ClF4N11O22S6 — CID 159370476

About 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (PubChem CID 159370476) has the molecular formula C69H74BBr3ClF4N11O22S6 and a molecular weight of 1963.78 g/mol. Its IUPAC name is 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
• PubChem CID: 159370476
• Molecular Formula: C69H74BBr3ClF4N11O22S6
• Molecular Weight: 1963.78 g/mol
• Exact Mass: 1959.06
• IUPAC Name: 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
• SMILES: CC1(C)OB(c2ccc(S(=O)(=O)NC(O)CO)cc2)OC1(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(=O)(=O)NCC(O)CO)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.O=S(=O)(Cl)c1ccc(Br)cc1.O=S(=O)(NC(O)CO)c1ccc(Br)cc1
• InChI: InChI=1S/C25H25F2N5O7S2.C16H13BrF2N4O3S.C14H22BNO6S.C8H10BrNO4S.C6H4BrClO2S/c1-2-9-40(36,37)32-20-8-7-19(26)21(22(20)27)24(35)23-18-10-15(11-28-25(18)31-30-23)14-3-5-17(6-4-14)41(38,39)29-12-16(34)13-33;1-2-5-27(25,26)23-11-4-3-10(18)12(13(11)19)15(24)14-9-6-8(17)7-20-16(9)22-21-14;1-13(2)14(3,4)22-15(21-13)10-5-7-11(8-6-10)23(19,20)16-12(18)9-17;9-6-1-3-7(4-2-6)15(13,14)10-8(12)5-11;7-5-1-3-6(4-2-5)11(8,9)10/h3-8,10-11,16,29,32-34H,2,9,12-13H2,1H3,(H,28,30,31);3-4,6-7,23H,2,5H2,1H3,(H,20,21,22);5-8,12,16-18H,9H2,1-4H3;1-4,8,10-12H,5H2;1-4H
• InChIKey: LJRDOYOCIJSASQ-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 522.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1963.78
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?

The IUPAC name of 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CID 159370476) is 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?

The canonical SMILES for 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is CC1(C)OB(c2ccc(S(=O)(=O)NC(O)CO)cc2)OC1(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(=O)(=O)NCC(O)CO)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.O=S(=O)(Cl)c1ccc(Br)cc1.O=S(=O)(NC(O)CO)c1ccc(Br)cc1.

What is the InChIKey of 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?

The InChIKey is LJRDOYOCIJSASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O7S2.C16H13BrF2N4O3S.C14H22BNO6S.C8H10BrNO4S.C6H4BrClO2S/c1-2-9-40(36,37)32-20-8-7-19(26)21(22(20)27)24(35)23-18-10-15(11-28-25(18)31-30-23)14-3-5-17(6-4-14)41(38,39)29-12-16(34)13-33;1-2-5-27(25,26)23-11-4-3-10(18)12(13(11)19)15(24)14-9-6-8(17)7-20-16(9)22-21-14;1-13(2)14(3,4)22-15(21-13)10-5-7-11(8-6-10)23(19,20)16-12(18)9-17;9-6-1-3-7(4-2-6)15(13,14)10-8(12)5-11;7-5-1-3-6(4-2-5)11(8,9)10/h3-8,10-11,16,29,32-34H,2,9,12-13H2,1H3,(H,28,30,31);3-4,6-7,23H,2,5H2,1H3,(H,20,21,22);5-8,12,16-18H,9H2,1-4H3;1-4,8,10-12H,5H2;1-4H.

What are the key properties of 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?

4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide has a molecular weight of 1963.78 g/mol, XLogP of 7.29, 28 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromobenzenesulfonyl chloride;4-bromo-N-(1,2-dihydroxyethyl)benzenesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(2,3-dihydroxypropyl)benzenesulfonamide;N-(1,2-dihydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 159370476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).