5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C14H11BrN2O2S — CID 22477353

IUPAC5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
InChIKeyOJSPXCGTOYBBJX-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.34
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 22477353) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID22477353
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
InChIKeyOJSPXCGTOYBBJX-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 22477353) is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is OJSPXCGTOYBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 351.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).