N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide

C23H19ClFN3O3S — CID 58087056

About N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide (PubChem CID 58087056) has the molecular formula C23H19ClFN3O3S and a molecular weight of 471.94 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide
• PubChem CID: 58087056
• Molecular Formula: C23H19ClFN3O3S
• Molecular Weight: 471.94 g/mol
• Exact Mass: 471.08
• IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1
• InChI: InChI=1S/C23H19ClFN3O3S/c1-2-9-32(30,31)28-17-7-8-21(25)19(11-17)22(29)20-13-27-23-18(20)10-15(12-26-23)14-3-5-16(24)6-4-14/h3-8,10-13,28H,2,9H2,1H3,(H,26,27)
• InChIKey: XEASUUCBCVHUOF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 91.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.94
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide (CID 58087056) is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.

What is the InChIKey of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide?

The InChIKey is XEASUUCBCVHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S/c1-2-9-32(30,31)28-17-7-8-21(25)19(11-17)22(29)20-13-27-23-18(20)10-15(12-26-23)14-3-5-16(24)6-4-14/h3-8,10-13,28H,2,9H2,1H3,(H,26,27).

What are the key properties of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide?

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide has a molecular weight of 471.94 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58087056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).