4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide

C83H55Cl8F3N16O12S4 — CID 157141010

About 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide

4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 157141010) has the molecular formula C83H55Cl8F3N16O12S4 and a molecular weight of 1937.34 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide
• PubChem CID: 157141010
• Molecular Formula: C83H55Cl8F3N16O12S4
• Molecular Weight: 1937.34 g/mol
• Exact Mass: 1932.05
• IUPAC Name: 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C22H18Cl2N4O3S.C21H12Cl2F3N3O3S.C20H11Cl2N5O3S.C20H14Cl2N4O3S/c1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;22-11-1-3-15(19(30)13-5-7-27-20-14(13)6-8-28-20)18(9-11)29-33(31,32)12-2-4-17(23)16(10-12)21(24,25)26;21-12-7-17(27-31(29,30)13-2-1-11(9-23)16(22)8-13)18(26-10-12)19(28)14-3-5-24-20-15(14)4-6-25-20;1-11-2-3-13(9-16(11)22)30(28,29)26-17-8-12(21)10-25-18(17)19(27)14-4-6-23-20-15(14)5-7-24-20/h3-12,28H,1-2H3,(H,25,26);1-10,29H,(H,27,28);1-8,10,27H,(H,24,25);2-10,26H,1H3,(H,23,24)
• InChIKey: AKENKEUTEJGUAH-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 430.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.34
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide (CID 157141010) is 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl.O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12.

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

The InChIKey is AKENKEUTEJGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S.C21H12Cl2F3N3O3S.C20H11Cl2N5O3S.C20H14Cl2N4O3S/c1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;22-11-1-3-15(19(30)13-5-7-27-20-14(13)6-8-28-20)18(9-11)29-33(31,32)12-2-4-17(23)16(10-12)21(24,25)26;21-12-7-17(27-31(29,30)13-2-1-11(9-23)16(22)8-13)18(26-10-12)19(28)14-3-5-24-20-15(14)4-6-25-20;1-11-2-3-13(9-16(11)22)30(28,29)26-17-8-12(21)10-25-18(17)19(27)14-4-6-23-20-15(14)5-7-24-20/h3-12,28H,1-2H3,(H,25,26);1-10,29H,(H,27,28);1-8,10,27H,(H,24,25);2-10,26H,1H3,(H,23,24).

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

4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 1937.34 g/mol, XLogP of 20.11, 21 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 157141010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).