N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide

C23H19F2N3O3S — CID 167624795

About N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide

N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 167624795) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide
• PubChem CID: 167624795
• Molecular Formula: C23H19F2N3O3S
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.11
• IUPAC Name: N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1c(F)ccc(C(=O)C2=CCc3ncc(-c4ccncc4)cc32)c1F
• InChI: InChI=1S/C23H19F2N3O3S/c1-2-11-32(30,31)28-22-19(24)5-3-17(21(22)25)23(29)16-4-6-20-18(16)12-15(13-27-20)14-7-9-26-10-8-14/h3-5,7-10,12-13,28H,2,6,11H2,1H3
• InChIKey: FNPYJWCRBLEJJA-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 89.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide (CID 167624795) is N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)C2=CCc3ncc(-c4ccncc4)cc32)c1F.

What is the InChIKey of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?

The InChIKey is FNPYJWCRBLEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-2-11-32(30,31)28-22-19(24)5-3-17(21(22)25)23(29)16-4-6-20-18(16)12-15(13-27-20)14-7-9-26-10-8-14/h3-5,7-10,12-13,28H,2,6,11H2,1H3.

What are the key properties of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?

N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 455.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 167624795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).