N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C17H23N3O4S — CID 136532265

IUPACN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2c[nH]c3ncccc23)C12CCOCC2
InChIInChI=1S/C17H23N3O4S/c1-2-24-15-10-14(17(15)5-8-23-9-6-17)20-25(21,22)13-11-19-16-12(13)4-3-7-18-16/h3-4,7,11,14-15,20H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAJOPCIVTSSJJMO-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.82
Rot. Bonds5

About N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 136532265) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID136532265
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2c[nH]c3ncccc23)C12CCOCC2
InChIInChI=1S/C17H23N3O4S/c1-2-24-15-10-14(17(15)5-8-23-9-6-17)20-25(21,22)13-11-19-16-12(13)4-3-7-18-16/h3-4,7,11,14-15,20H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAJOPCIVTSSJJMO-UHFFFAOYSA-N
XLogP1.82
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 136532265) is N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CCOC1CC(NS(=O)(=O)c2c[nH]c3ncccc23)C12CCOCC2.
What is the InChIKey of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is AJOPCIVTSSJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-2-24-15-10-14(17(15)5-8-23-9-6-17)20-25(21,22)13-11-19-16-12(13)4-3-7-18-16/h3-4,7,11,14-15,20H,2,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 136532265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).