1-azido-2-(2-azidophenyl)sulfonylbenzene

C12H8N6O2S — CID 86105222

IUPAC1-azido-2-(2-azidophenyl)sulfonylbenzene
SMILES[N-]=[N+]=Nc1ccccc1S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C12H8N6O2S/c13-17-15-9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)16-18-14/h1-8H
InChIKeyISWJSWUKFSEDCZ-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.40
Rot. Bonds4

About 1-azido-2-(2-azidophenyl)sulfonylbenzene

1-azido-2-(2-azidophenyl)sulfonylbenzene (PubChem CID 86105222) has the molecular formula C12H8N6O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-azido-2-(2-azidophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-azido-2-(2-azidophenyl)sulfonylbenzene
PubChem CID86105222
Molecular FormulaC12H8N6O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name1-azido-2-(2-azidophenyl)sulfonylbenzene
SMILES[N-]=[N+]=Nc1ccccc1S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C12H8N6O2S/c13-17-15-9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)16-18-14/h1-8H
InChIKeyISWJSWUKFSEDCZ-UHFFFAOYSA-N
XLogP4.40
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-2-(2-azidophenyl)sulfonylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(2-azidophenyl)sulfonylbenzene?
The IUPAC name of 1-azido-2-(2-azidophenyl)sulfonylbenzene (CID 86105222) is 1-azido-2-(2-azidophenyl)sulfonylbenzene.
What is the SMILES notation for 1-azido-2-(2-azidophenyl)sulfonylbenzene?
The canonical SMILES for 1-azido-2-(2-azidophenyl)sulfonylbenzene is [N-]=[N+]=Nc1ccccc1S(=O)(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-(2-azidophenyl)sulfonylbenzene?
The InChIKey is ISWJSWUKFSEDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2S/c13-17-15-9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)16-18-14/h1-8H.
What are the key properties of 1-azido-2-(2-azidophenyl)sulfonylbenzene?
1-azido-2-(2-azidophenyl)sulfonylbenzene has a molecular weight of 300.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-azidophenyl)sulfonylbenzene is sourced from PubChem (CID 86105222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).