2-azido-N-diazobenzenesulfonamide

C6H4N6O2S — CID 57280224

IUPAC2-azido-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C6H4N6O2S/c7-10-9-5-3-1-2-4-6(5)15(13,14)12-11-8/h1-4H
InChIKeyKQUMYHPJZPWRBF-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.63
Rot. Bonds3

About 2-azido-N-diazobenzenesulfonamide

2-azido-N-diazobenzenesulfonamide (PubChem CID 57280224) has the molecular formula C6H4N6O2S and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-azido-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name2-azido-N-diazobenzenesulfonamide
PubChem CID57280224
Molecular FormulaC6H4N6O2S
Molecular Weight224.21 g/mol
Exact Mass224.01
IUPAC Name2-azido-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C6H4N6O2S/c7-10-9-5-3-1-2-4-6(5)15(13,14)12-11-8/h1-4H
InChIKeyKQUMYHPJZPWRBF-UHFFFAOYSA-N
XLogP2.63
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

Sulfanilamide
CID 5333
2-Aminobenzenesulfonic acid
CID 6926
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
4-Azidobenzenesulfonamide
CID 3558590
2-Hydrazinylbenzenesulfonamide
CID 11206245
2-Nitrobenzenesulfonamide
CID 138510
p-Diazobenzenesulfonic acid
CID 67539
N-Hydroxy-2-nitrobenzenesulfonamide
CID 23645544
4-(3,3-Dimethyl-1-triazen-1-yl)benzenesulfonamide
CID 94575
Diazobenzenesulfonic acid
CID 67540
2-amino-N-phenylbenzene-1-sulfonamide
CID 291711

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-diazobenzenesulfonamide?
The IUPAC name of 2-azido-N-diazobenzenesulfonamide (CID 57280224) is 2-azido-N-diazobenzenesulfonamide.
What is the SMILES notation for 2-azido-N-diazobenzenesulfonamide?
The canonical SMILES for 2-azido-N-diazobenzenesulfonamide is [N-]=[N+]=Nc1ccccc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 2-azido-N-diazobenzenesulfonamide?
The InChIKey is KQUMYHPJZPWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O2S/c7-10-9-5-3-1-2-4-6(5)15(13,14)12-11-8/h1-4H.
What are the key properties of 2-azido-N-diazobenzenesulfonamide?
2-azido-N-diazobenzenesulfonamide has a molecular weight of 224.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-diazobenzenesulfonamide is sourced from PubChem (CID 57280224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).