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

C15H14N2O2S — CID 22477641

IUPAC3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-10-12(2)14-4-3-9-16-15(14)17/h3-10H,1-2H3
InChIKeyUAGWUCCOKDIIDM-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.89
Rot. Bonds2

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

3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 22477641) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID22477641
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-10-12(2)14-4-3-9-16-15(14)17/h3-10H,1-2H3
InChIKeyUAGWUCCOKDIIDM-UHFFFAOYSA-N
XLogP2.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 22477641) is 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(C)c3cccnc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is UAGWUCCOKDIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-10-12(2)14-4-3-9-16-15(14)17/h3-10H,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 286.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).