4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt

C12H11N3NaO6S2 — CID 166600375

IUPAC—
SMILESO=S(=O)(O)c1ccc(/N=N/Nc2ccc(S(=O)(=O)O)cc2)cc1.[Na]
InChIInChI=1S/C12H11N3O6S2.Na/c16-22(17,18)11-5-1-9(2-6-11)13-15-14-10-3-7-12(8-4-10)23(19,20)21;/h1-8H,(H,13,14)(H,16,17,18)(H,19,20,21);
InChIKeyXUSILXIQWYXSKR-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.91
Rot. Bonds5

About 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt

4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt (PubChem CID 166600375) has the molecular formula C12H11N3NaO6S2 and a molecular weight of 380.36 g/mol.

Molecular Properties

Compound Name4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
PubChem CID166600375
Molecular FormulaC12H11N3NaO6S2
Molecular Weight380.36 g/mol
Exact Mass380.00
IUPAC Name—
SMILESO=S(=O)(O)c1ccc(/N=N/Nc2ccc(S(=O)(=O)O)cc2)cc1.[Na]
InChIInChI=1S/C12H11N3O6S2.Na/c16-22(17,18)11-5-1-9(2-6-11)13-15-14-10-3-7-12(8-4-10)23(19,20)21;/h1-8H,(H,13,14)(H,16,17,18)(H,19,20,21);
InChIKeyXUSILXIQWYXSKR-UHFFFAOYSA-N
XLogP1.91
TPSA145.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
3-[(4-sulfoanilino)diazenyl]propanoic acid
CID 87526105
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
4-[[4-(hexylamino)phenyl]diazenyl]benzenesulfonic acid
CID 100963290
Sodium 4-sulfophenylurea
CID 87590877
(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
CID 5474329
(4-sulfoanilino)azanium chloride
CID 11172143
4-[4-(methyldiazenyl)-N-(4-sulfophenyl)anilino]benzenesulfonic acid
CID 168726206
CID 170845739
CID 170845739
[4-[(2E)-2-[[3,5-dinitro-6-[[4-(sulfodiazenyl)anilino]diazenyl]-2-pyridinyl]imino]hydrazinyl]phenyl]iminosulfamic acid
CID 141463643
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579

Frequently Asked Questions

What is the IUPAC name of 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt?
The IUPAC name of 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt (CID 166600375) is not available.
What is the SMILES notation for 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt?
The canonical SMILES for 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt is O=S(=O)(O)c1ccc(/N=N/Nc2ccc(S(=O)(=O)O)cc2)cc1.[Na].
What is the InChIKey of 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt?
The InChIKey is XUSILXIQWYXSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6S2.Na/c16-22(17,18)11-5-1-9(2-6-11)13-15-14-10-3-7-12(8-4-10)23(19,20)21;/h1-8H,(H,13,14)(H,16,17,18)(H,19,20,21);.
What are the key properties of 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt?
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt has a molecular weight of 380.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt is sourced from PubChem (CID 166600375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).