N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide

C17H17F3N4O5S — CID 170733296

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide (PubChem CID 170733296) has the molecular formula C17H17F3N4O5S and a molecular weight of 446.41 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide
• PubChem CID: 170733296
• Molecular Formula: C17H17F3N4O5S
• Molecular Weight: 446.41 g/mol
• Exact Mass: 446.09
• IUPAC Name: N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide
• SMILES: CCn1ccc2c(S(=O)(=O)Nc3cc(F)c(OCC(F)F)nc3OC)c[nH]c2c1=O
• InChI: InChI=1S/C17H17F3N4O5S/c1-3-24-5-4-9-12(7-21-14(9)17(24)25)30(26,27)23-11-6-10(18)15(22-16(11)28-2)29-8-13(19)20/h4-7,13,21,23H,3,8H2,1-2H3
• InChIKey: ADGVMJCUNGELLP-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 115.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.41
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide?

The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide (CID 170733296) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide.

What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide?

The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide is CCn1ccc2c(S(=O)(=O)Nc3cc(F)c(OCC(F)F)nc3OC)c[nH]c2c1=O.

What is the InChIKey of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide?

The InChIKey is ADGVMJCUNGELLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O5S/c1-3-24-5-4-9-12(7-21-14(9)17(24)25)30(26,27)23-11-6-10(18)15(22-16(11)28-2)29-8-13(19)20/h4-7,13,21,23H,3,8H2,1-2H3.

What are the key properties of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide?

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide has a molecular weight of 446.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide is sourced from PubChem (CID 170733296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).