1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine

C15H14N2OS — CID 145050991

IUPAC1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2c1ccn2S(=O)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-12-8-10-16-15-14(12)9-11-17(15)19(18)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyWVZVYVMRKUMDRR-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.17
Rot. Bonds3

About 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine

1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine (PubChem CID 145050991) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine
PubChem CID145050991
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2c1ccn2S(=O)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-12-8-10-16-15-14(12)9-11-17(15)19(18)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyWVZVYVMRKUMDRR-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine (CID 145050991) is 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine is CCc1ccnc2c1ccn2S(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine?
The InChIKey is WVZVYVMRKUMDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-12-8-10-16-15-14(12)9-11-17(15)19(18)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine?
1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine has a molecular weight of 270.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-4-ethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145050991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).