4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole

C13H8N4O3S — CID 45272508

IUPAC4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1ccc2ncccc21
InChIInChI=1S/C13H8N4O3S/c18-21(19,12-5-1-3-10-13(12)16-20-15-10)17-8-6-9-11(17)4-2-7-14-9/h1-8H
InChIKeyJUBPPAOPMAHYNT-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.81
Rot. Bonds2

About 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole

4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole (PubChem CID 45272508) has the molecular formula C13H8N4O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole
PubChem CID45272508
Molecular FormulaC13H8N4O3S
Molecular Weight300.30 g/mol
Exact Mass300.03
IUPAC Name4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1ccc2ncccc21
InChIInChI=1S/C13H8N4O3S/c18-21(19,12-5-1-3-10-13(12)16-20-15-10)17-8-6-9-11(17)4-2-7-14-9/h1-8H
InChIKeyJUBPPAOPMAHYNT-UHFFFAOYSA-N
XLogP1.81
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole (CID 45272508) is 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)n1ccc2ncccc21.
What is the InChIKey of 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The InChIKey is JUBPPAOPMAHYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O3S/c18-21(19,12-5-1-3-10-13(12)16-20-15-10)17-8-6-9-11(17)4-2-7-14-9/h1-8H.
What are the key properties of 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole?
4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole has a molecular weight of 300.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[3,2-b]pyridin-1-ylsulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 45272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).