3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine

C20H23N3O2S — CID 11545169

IUPAC3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCCN1CCCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1
InChIInChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
InChIKeyZTPFZEHJSYONHE-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.53
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine

3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 11545169) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID11545169
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCCN1CCCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1
InChIInChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
InChIKeyZTPFZEHJSYONHE-UHFFFAOYSA-N
XLogP3.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine (CID 11545169) is 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine is CCN1CCCC(n2cc(S(=O)(=O)c3ccccc3)c3cccnc32)C1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is ZTPFZEHJSYONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine?
3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 369.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11545169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).