1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine

C13H9FN2O2S — CID 143927812

IUPAC1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1F)n1ccc2ncccc21
InChIInChI=1S/C13H9FN2O2S/c14-10-4-1-2-6-13(10)19(17,18)16-9-7-11-12(16)5-3-8-15-11/h1-9H
InChIKeyLMJAKPAPPDQEKT-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine

1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine (PubChem CID 143927812) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine
PubChem CID143927812
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1F)n1ccc2ncccc21
InChIInChI=1S/C13H9FN2O2S/c14-10-4-1-2-6-13(10)19(17,18)16-9-7-11-12(16)5-3-8-15-11/h1-9H
InChIKeyLMJAKPAPPDQEKT-UHFFFAOYSA-N
XLogP2.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine (CID 143927812) is 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1F)n1ccc2ncccc21.
What is the InChIKey of 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine?
The InChIKey is LMJAKPAPPDQEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-10-4-1-2-6-13(10)19(17,18)16-9-7-11-12(16)5-3-8-15-11/h1-9H.
What are the key properties of 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine?
1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine has a molecular weight of 276.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143927812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).