4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide

C12H8N6O5S2 — CID 2828994

IUPAC4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-5-1-9(2-6-11)23-10-3-7-12(8-4-10)25(21,22)18-16-14/h1-8H
InChIKeyVGPBSDQELAMFAH-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.48
Rot. Bonds6

About 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide

4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide (PubChem CID 2828994) has the molecular formula C12H8N6O5S2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
PubChem CID2828994
Molecular FormulaC12H8N6O5S2
Molecular Weight380.37 g/mol
Exact Mass380.00
IUPAC Name4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-5-1-9(2-6-11)23-10-3-7-12(8-4-10)25(21,22)18-16-14/h1-8H
InChIKeyVGPBSDQELAMFAH-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'}

Analyze 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide 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

p,p'-Oxybis(benzenesulfonyl hydrazide)
CID 6649
Bis(4-chlorosulfonylphenyl) ether
CID 8484
4-Propoxybenzenesulfonamide
CID 21978067
4-Ethoxybenzenesulfonamide
CID 3724005
4-Ethoxybenzene-1-sulfonohydrazide
CID 2063483
4-Butoxybenzenesulfonamide
CID 2049187
4-(Allyloxy)benzenesulfonamide
CID 18668331
2,3,5,6-Tetrafluoro-4-phenoxybenzenesulfonamide
CID 71584327
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
Benzenesulfonamide, 4,4'-oxybis-
CID 82054
4-Phenoxybenzenesulfonamide
CID 838564
p-Methoxybenzenesulphonyl hydrazide
CID 74766

Frequently Asked Questions

What is the IUPAC name of 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The IUPAC name of 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide (CID 2828994) is 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide.
What is the SMILES notation for 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The canonical SMILES for 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1.
What is the InChIKey of 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
The InChIKey is VGPBSDQELAMFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O5S2/c13-15-17-24(19,20)11-5-1-9(2-6-11)23-10-3-7-12(8-4-10)25(21,22)18-16-14/h1-8H.
What are the key properties of 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide?
4-(4-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 4-(4-azidosulfonylphenoxy)-N-diazobenzenesulfonamide is sourced from PubChem (CID 2828994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).