N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

C24H20F2N4O3S — CID 164938984

About N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (PubChem CID 164938984) has the molecular formula C24H20F2N4O3S and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 164938984
• Molecular Formula: C24H20F2N4O3S
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.12
• IUPAC Name: N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
• SMILES: C=Cc1ccc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC)c4F)c3c2)cn1
• InChI: InChI=1S/C24H20F2N4O3S/c1-3-9-34(32,33)30-22-20(25)8-7-17(21(22)26)23(31)19-13-29-24-18(19)10-15(12-28-24)14-5-6-16(4-2)27-11-14/h4-8,10-13,30H,2-3,9H2,1H3,(H,28,29)
• InChIKey: HAHYJUAMBVLZOA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (CID 164938984) is N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is C=Cc1ccc(-c2cnc3[nH]cc(C(=O)c4ccc(F)c(NS(=O)(=O)CCC)c4F)c3c2)cn1.

What is the InChIKey of N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The InChIKey is HAHYJUAMBVLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3S/c1-3-9-34(32,33)30-22-20(25)8-7-17(21(22)26)23(31)19-13-29-24-18(19)10-15(12-28-24)14-5-6-16(4-2)27-11-14/h4-8,10-13,30H,2-3,9H2,1H3,(H,28,29).

What are the key properties of N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide has a molecular weight of 482.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(6-ethenyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 164938984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).