4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

C80H48Cl7F9N16O12S4 — CID 158918228

About 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 158918228) has the molecular formula C80H48Cl7F9N16O12S4 and a molecular weight of 1972.78 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 158918228
• Molecular Formula: C80H48Cl7F9N16O12S4
• Molecular Weight: 1972.78 g/mol
• Exact Mass: 1968.02
• IUPAC Name: 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
• SMILES: Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C21H14ClF3N4O3S.C20H11Cl2F3N4O3S.C20H12ClF3N4O3S.C19H11Cl3N4O3S/c1-11-8-17(29-33(31,32)12-2-3-16(22)15(9-12)21(23,24)25)18(28-10-11)19(30)13-4-6-26-20-14(13)5-7-27-20;21-14-2-1-11(8-15(14)22)33(31,32)29-16-7-10(20(23,24)25)9-28-17(16)18(30)12-3-5-26-19-13(12)4-6-27-19;21-12-9-16(28-32(30,31)13-3-1-2-11(8-13)20(22,23)24)17(27-10-12)18(29)14-4-6-25-19-15(14)5-7-26-19;20-10-7-16(26-30(28,29)11-1-2-14(21)15(22)8-11)17(25-9-10)18(27)12-3-5-23-19-13(12)4-6-24-19/h2-10,29H,1H3,(H,26,27);1-9,29H,(H,26,27);1-10,28H,(H,25,26);1-9,26H,(H,23,24)
• InChIKey: JHMRNKGYSNILKR-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 419.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.78
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (CID 158918228) is 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccnc2[nH]ccc12.

What is the InChIKey of 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is JHMRNKGYSNILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3S.C20H11Cl2F3N4O3S.C20H12ClF3N4O3S.C19H11Cl3N4O3S/c1-11-8-17(29-33(31,32)12-2-3-16(22)15(9-12)21(23,24)25)18(28-10-11)19(30)13-4-6-26-20-14(13)5-7-27-20;21-14-2-1-11(8-15(14)22)33(31,32)29-16-7-10(20(23,24)25)9-28-17(16)18(30)12-3-5-26-19-13(12)4-6-27-19;21-12-9-16(28-32(30,31)13-3-1-2-11(8-13)20(22,23)24)17(27-10-12)18(29)14-4-6-25-19-15(14)5-7-26-19;20-10-7-16(26-30(28,29)11-1-2-14(21)15(22)8-11)17(25-9-10)18(27)12-3-5-23-19-13(12)4-6-24-19/h2-10,29H,1H3,(H,26,27);1-9,29H,(H,26,27);1-10,28H,(H,25,26);1-9,26H,(H,23,24).

What are the key properties of 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?

4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1972.78 g/mol, XLogP of 19.90, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 158918228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).