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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Phenylsulfonyl)-4-azaindole
CID 45270766
N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 659653
[1-(2,1,3-Benzoxadiazol-4-ylsulfonyl)azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 70682148
N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3235697
1-(3-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
CID 45267342
1-(2-nitrophenylsulfonyl)-6-(piperazin-1-yl)-1H-pyrrolo[3,2-b]pyridine
CID 45267357
1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-amine
CID 45267361
4-(6-(piperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
CID 45269953
1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)ethanone
CID 45269959
1-(2-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
CID 45271586
1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)-2-(methylamino)ethanone
CID 45272515
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 44247490

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).