N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

C₂₀H₁₆FN₃O₃S — CID 50940069

About N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 50940069) has the molecular formula C₂₀H₁₆FN₃O₃S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
• PubChem CID: 50940069
• Molecular Formula: C₂₀H₁₆FN₃O₃S
• Molecular Weight: 397.43 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
• SMILES: COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1
• InChI: InChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23)
• InChIKey: CMDHFGSTWADFIY-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.43
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?

The IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (CID 50940069) is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.

What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?

The canonical SMILES for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1.

What is the InChIKey of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?

The InChIKey is CMDHFGSTWADFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23).

What are the key properties of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?

N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 397.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 50940069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50940069 — identifiers, structure, computed properties (public domain)

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