2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide

C12H8N6O5S2 — CID 19882754

IUPAC2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccccc1Oc1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-7-3-1-5-9(11)23-10-6-2-4-8-12(10)25(21,22)18-16-14/h1-8H
InChIKeyOJGUPFQAMDNIBC-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide

2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide (PubChem CID 19882754) has the molecular formula C12H8N6O5S2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
PubChem CID19882754
Molecular FormulaC12H8N6O5S2
Molecular Weight380.37 g/mol
Exact Mass380.00
IUPAC Name2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccccc1Oc1ccccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-7-3-1-5-9(11)23-10-6-2-4-8-12(10)25(21,22)18-16-14/h1-8H
InChIKeyOJGUPFQAMDNIBC-UHFFFAOYSA-N
XLogP3.48
TPSA175.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[2,3-bis(azidosulfonyl)phenoxy]-1-N,2-N-didiazobenzene-1,2-disulfonamide
CID 88520484
2-azido-N-diazobenzenesulfonamide
CID 57280224
2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
CID 21284140
methyl 2-azidosulfonylbenzoate
CID 25128429
N-(2-azidosulfonylphenyl)acetamide
CID 87142558
2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
CID 142695066
2,6-dibromo-N-diazobenzenesulfonamide
CID 53381084
sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
CID 175093945
N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide
CID 18667836
N-diazo-4-trimethoxysilylbenzenesulfonamide;N-diazo-2-(2-trimethoxysilylethyl)benzenesulfonamide
CID 88726914
1-azido-2-(2-azidophenyl)sulfonylbenzene
CID 86105222
N-diazo-2-methoxy-5-nitrobenzenesulfonamide
CID 43286701

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The IUPAC name of 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide (CID 19882754) is 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide.
What is the SMILES notation for 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The canonical SMILES for 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccccc1Oc1ccccc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The InChIKey is OJGUPFQAMDNIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-7-3-1-5-9(11)23-10-6-2-4-8-12(10)25(21,22)18-16-14/h1-8H.
What are the key properties of 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide has a molecular weight of 380.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide is sourced from PubChem (CID 19882754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).