1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine

C14H12N2O2S — CID 52951622

IUPAC1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccc2ccn(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C14H12N2O2S/c1-11-7-8-12-9-10-16(14(12)15-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyHDYOJYIOAJSSBF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.58
Rot. Bonds2

About 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine (PubChem CID 52951622) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine
PubChem CID52951622
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccc2ccn(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C14H12N2O2S/c1-11-7-8-12-9-10-16(14(12)15-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyHDYOJYIOAJSSBF-UHFFFAOYSA-N
XLogP2.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine (CID 52951622) is 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine is Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine?
The InChIKey is HDYOJYIOAJSSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-7-8-12-9-10-16(14(12)15-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine has a molecular weight of 272.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 52951622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).