1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C16H16N2O2S — CID 71562311

IUPAC1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c(S(=O)(=O)n2ccc3cccnc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-11-9-12(2)15(13(3)10-11)21(19,20)18-8-6-14-5-4-7-17-16(14)18/h4-10H,1-3H3
InChIKeyGOOBMCRVSGDYEA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine

1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 71562311) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID71562311
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c(S(=O)(=O)n2ccc3cccnc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-11-9-12(2)15(13(3)10-11)21(19,20)18-8-6-14-5-4-7-17-16(14)18/h4-10H,1-3H3
InChIKeyGOOBMCRVSGDYEA-UHFFFAOYSA-N
XLogP3.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 71562311) is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1cc(C)c(S(=O)(=O)n2ccc3cccnc32)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is GOOBMCRVSGDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-9-12(2)15(13(3)10-11)21(19,20)18-8-6-14-5-4-7-17-16(14)18/h4-10H,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 300.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71562311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).