4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide

C66H56ClF5N10O6S2 — CID 157299709

About 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide

4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide (PubChem CID 157299709) has the molecular formula C66H56ClF5N10O6S2 and a molecular weight of 1279.81 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide
• PubChem CID: 157299709
• Molecular Formula: C66H56ClF5N10O6S2
• Molecular Weight: 1279.81 g/mol
• Exact Mass: 1278.34
• IUPAC Name: 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide
• SMILES: Cc1cc(C(=O)NCCO)ncc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1.Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1
• InChI: InChI=1S/C22H19ClFN3O2S.C22H18F2N4O2.C22H19F2N3O2S/c1-13-9-16(30(28,29)27(2)3)7-8-17(13)15-10-14-11-20(26-22(14)25-12-15)21-18(23)5-4-6-19(21)24;1-12-7-19(22(30)25-5-6-29)26-11-15(12)14-8-13-9-18(28-21(13)27-10-14)20-16(23)3-2-4-17(20)24;1-13-9-16(30(28,29)27(2)3)7-8-17(13)15-10-14-11-20(26-22(14)25-12-15)21-18(23)5-4-6-19(21)24/h4-12H,1-3H3,(H,25,26);2-4,7-11,29H,5-6H2,1H3,(H,25,30)(H,27,28);4-12H,1-3H3,(H,25,26)
• InChIKey: BBTJJDLAMRJFGT-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 223.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.81
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide?

The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide (CID 157299709) is 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide.

What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide?

The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide is Cc1cc(C(=O)NCCO)ncc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1.Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1.

What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide?

The InChIKey is BBTJJDLAMRJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2S.C22H18F2N4O2.C22H19F2N3O2S/c1-13-9-16(30(28,29)27(2)3)7-8-17(13)15-10-14-11-20(26-22(14)25-12-15)21-18(23)5-4-6-19(21)24;1-12-7-19(22(30)25-5-6-29)26-11-15(12)14-8-13-9-18(28-21(13)27-10-14)20-16(23)3-2-4-17(20)24;1-13-9-16(30(28,29)27(2)3)7-8-17(13)15-10-14-11-20(26-22(14)25-12-15)21-18(23)5-4-6-19(21)24/h4-12H,1-3H3,(H,25,26);2-4,7-11,29H,5-6H2,1H3,(H,25,30)(H,27,28);4-12H,1-3H3,(H,25,26).

What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide?

4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide has a molecular weight of 1279.81 g/mol, XLogP of 13.58, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-chloro-6-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide;5-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)-4-methylpyridine-2-carboxamide;4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 157299709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).