6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C27H17Cl2F3IN5O4S2 — CID 158335976

About 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 158335976) has the molecular formula C27H17Cl2F3IN5O4S2 and a molecular weight of 794.40 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
• PubChem CID: 158335976
• Molecular Formula: C27H17Cl2F3IN5O4S2
• Molecular Weight: 794.40 g/mol
• Exact Mass: 792.91
• IUPAC Name: 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
• SMILES: O=S(=O)(Nc1cc(F)ccc1F)c1c[nH]c2ncc(I)cc12.O=S(=O)(Nc1cccc(F)c1Cl)c1c[nH]c2cc(Cl)ccc12
• InChI: InChI=1S/C14H9Cl2FN2O2S.C13H8F2IN3O2S/c15-8-4-5-9-12(6-8)18-7-13(9)22(20,21)19-11-3-1-2-10(17)14(11)16;14-7-1-2-10(15)11(3-7)19-22(20,21)12-6-18-13-9(12)4-8(16)5-17-13/h1-7,18-19H;1-6,19H,(H,17,18)
• InChIKey: GQOUIZJXKATWBE-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 136.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.40
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?

The IUPAC name of 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 158335976) is 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

What is the SMILES notation for 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?

The canonical SMILES for 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1c[nH]c2ncc(I)cc12.O=S(=O)(Nc1cccc(F)c1Cl)c1c[nH]c2cc(Cl)ccc12.

What is the InChIKey of 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?

The InChIKey is GQOUIZJXKATWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O2S.C13H8F2IN3O2S/c15-8-4-5-9-12(6-8)18-7-13(9)22(20,21)19-11-3-1-2-10(17)14(11)16;14-7-1-2-10(15)11(3-7)19-22(20,21)12-6-18-13-9(12)4-8(16)5-17-13/h1-7,18-19H;1-6,19H,(H,17,18).

What are the key properties of 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?

6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 794.40 g/mol, XLogP of 7.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 158335976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).