4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C87H62Cl6F12N16O16S4+2 — CID 159625934

About 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159625934) has the molecular formula C87H62Cl6F12N16O16S4+2 and a molecular weight of 2156.51 g/mol. Its IUPAC name is 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159625934
• Molecular Formula: C87H62Cl6F12N16O16S4+2
• Molecular Weight: 2156.51 g/mol
• Exact Mass: 2152.13
• IUPAC Name: 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: CCc1cnc(C(=O)c2c(OC)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cnc(C(=O)c2c(OC(C)C)c[n+](O)c3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)c[n+](O)c2[nH]ccc12.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cnc2[nH]ccc12
• InChI: InChI=1S/C24H20ClF3N4O5S.C23H18ClF3N4O4S.C20H11Cl2F3N4O4S.C20H11Cl2F3N4O3S/c1-12(2)37-19-11-32(34)23-15(6-7-29-23)20(19)22(33)21-18(8-13(3)10-30-21)31-38(35,36)14-4-5-17(25)16(9-14)24(26,27)28;1-3-12-8-17(31-36(33,34)13-4-5-16(24)15(9-13)23(25,26)27)20(29-10-12)21(32)19-14-6-7-28-22(14)30-11-18(19)35-2;21-13-4-3-10(8-12(13)20(23,24)25)34(32,33)28-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)29(31)9-14(16)22;21-13-4-3-10(8-12(13)20(23,24)25)33(31,32)29-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)28-9-14(16)22/h4-12,34H,1-3H3,(H,31,33);4-11,31H,3H2,1-2H3,(H,28,30);1-9,31H,(H,28,30);1-9,29H,(H,27,28)/p+2
• InChIKey: CVPDQGUQVLSDSE-UHFFFAOYSA-P
• XLogP: 19.88
• TPSA: 460.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.51
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159625934) is 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is CCc1cnc(C(=O)c2c(OC)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cnc(C(=O)c2c(OC(C)C)c[n+](O)c3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)c[n+](O)c2[nH]ccc12.O=C(c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cnc2[nH]ccc12.

What is the InChIKey of 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is CVPDQGUQVLSDSE-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H20ClF3N4O5S.C23H18ClF3N4O4S.C20H11Cl2F3N4O4S.C20H11Cl2F3N4O3S/c1-12(2)37-19-11-32(34)23-15(6-7-29-23)20(19)22(33)21-18(8-13(3)10-30-21)31-38(35,36)14-4-5-17(25)16(9-14)24(26,27)28;1-3-12-8-17(31-36(33,34)13-4-5-16(24)15(9-13)23(25,26)27)20(29-10-12)21(32)19-14-6-7-28-22(14)30-11-18(19)35-2;21-13-4-3-10(8-12(13)20(23,24)25)34(32,33)28-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)29(31)9-14(16)22;21-13-4-3-10(8-12(13)20(23,24)25)33(31,32)29-15-2-1-6-26-17(15)18(30)16-11-5-7-27-19(11)28-9-14(16)22/h4-12,34H,1-3H3,(H,31,33);4-11,31H,3H2,1-2H3,(H,28,30);1-9,31H,(H,28,30);1-9,29H,(H,27,28)/p+2.

What are the key properties of 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2156.51 g/mol, XLogP of 19.88, 24 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-ethyl-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7-hydroxy-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159625934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).