3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide

C75H59BBrCl3F5N11O12S5 — CID 158552994

About 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide

3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide (PubChem CID 158552994) has the molecular formula C75H59BBrCl3F5N11O12S5 and a molecular weight of 1758.76 g/mol. Its IUPAC name is 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide
• PubChem CID: 158552994
• Molecular Formula: C75H59BBrCl3F5N11O12S5
• Molecular Weight: 1758.76 g/mol
• Exact Mass: 1755.12
• IUPAC Name: 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide
• SMILES: Brc1cnc2ccccn12.CC1(C)OB(c2cnc(Cl)c(C(S(=O)(=O)c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.Cc1ccn2c(-c3cnc(Cl)c(N(S(=O)(=O)c4ccc(F)cc4)S(=O)(=O)c4ccc(F)cc4)c3)cnc2c1.Cc1ccn2c(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cnc2c1
• InChI: InChI=1S/C25H17ClF2N4O4S2.C24H23BClF2NO6S2.C19H14ClFN4O2S.C7H5BrN2/c1-16-10-11-31-23(15-29-24(31)12-16)17-13-22(25(26)30-14-17)32(37(33,34)20-6-2-18(27)3-7-20)38(35,36)21-8-4-19(28)5-9-21;1-23(2)24(3,4)35-25(34-23)15-13-20(21(26)29-14-15)22(36(30,31)18-9-5-16(27)6-10-18)37(32,33)19-11-7-17(28)8-12-19;1-12-6-7-25-17(11-22-18(25)8-12)13-9-16(19(20)23-10-13)24-28(26,27)15-4-2-14(21)3-5-15;8-6-5-9-7-3-1-2-4-10(6)7/h2-15H,1H3;5-14,22H,1-4H3;2-11,24H,1H3;1-5H
• InChIKey: HPYIUACIQXQCEG-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 295.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1758.76
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

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 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide?

The IUPAC name of 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide (CID 158552994) is 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide.

What is the SMILES notation for 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide?

The canonical SMILES for 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide is Brc1cnc2ccccn12.CC1(C)OB(c2cnc(Cl)c(C(S(=O)(=O)c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.Cc1ccn2c(-c3cnc(Cl)c(N(S(=O)(=O)c4ccc(F)cc4)S(=O)(=O)c4ccc(F)cc4)c3)cnc2c1.Cc1ccn2c(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cnc2c1.

What is the InChIKey of 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide?

The InChIKey is HPYIUACIQXQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF2N4O4S2.C24H23BClF2NO6S2.C19H14ClFN4O2S.C7H5BrN2/c1-16-10-11-31-23(15-29-24(31)12-16)17-13-22(25(26)30-14-17)32(37(33,34)20-6-2-18(27)3-7-20)38(35,36)21-8-4-19(28)5-9-21;1-23(2)24(3,4)35-25(34-23)15-13-20(21(26)29-14-15)22(36(30,31)18-9-5-16(27)6-10-18)37(32,33)19-11-7-17(28)8-12-19;1-12-6-7-25-17(11-22-18(25)8-12)13-9-16(19(20)23-10-13)24-28(26,27)15-4-2-14(21)3-5-15;8-6-5-9-7-3-1-2-4-10(6)7/h2-15H,1H3;5-14,22H,1-4H3;2-11,24H,1H3;1-5H.

What are the key properties of 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide?

3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 1758.76 g/mol, XLogP of 15.87, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis[(4-fluorophenyl)sulfonyl]methyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromoimidazo[1,2-a]pyridine;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 158552994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).