4-phenyldiazenylbenzenesulfonic acid

C12H10N2O3S — CID 17210

IUPAC4-phenyldiazenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b14-13+
InChIKeyAJMNDPOSKIBVGX-BUHFOSPRSA-N
MW262.29 g/mol
LogP3.35
Rot. Bonds3

About 4-phenyldiazenylbenzenesulfonic acid

4-phenyldiazenylbenzenesulfonic acid (PubChem CID 17210) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-phenyldiazenylbenzenesulfonic acid.

Molecular Properties

Compound Name4-phenyldiazenylbenzenesulfonic acid
PubChem CID17210
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-phenyldiazenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b14-13+
InChIKeyAJMNDPOSKIBVGX-BUHFOSPRSA-N
XLogP3.35
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dapsone
CID 2955
Sulfanilic acid
CID 8479
4-Hydrazinobenzenesulfonic acid
CID 66825
Sulfabenz
CID 31390
C.I. Acid Orange 52
CID 23673835
Diphenylamine-4-sulfonic acid
CID 66866
4-Azidobenzenesulfonamide
CID 3558590
4-Aminoazobenzene-3,4'-disulfonic acid
CID 60996
4-Iodosulfanilanilide
CID 247908
Disulphane
CID 68351
p-Diazobenzenesulfonic acid
CID 67539
Benzenesulfonanilide
CID 74296

Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylbenzenesulfonic acid?
The IUPAC name of 4-phenyldiazenylbenzenesulfonic acid (CID 17210) is 4-phenyldiazenylbenzenesulfonic acid.
What is the SMILES notation for 4-phenyldiazenylbenzenesulfonic acid?
The canonical SMILES for 4-phenyldiazenylbenzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-phenyldiazenylbenzenesulfonic acid?
The InChIKey is AJMNDPOSKIBVGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b14-13+.
What are the key properties of 4-phenyldiazenylbenzenesulfonic acid?
4-phenyldiazenylbenzenesulfonic acid has a molecular weight of 262.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylbenzenesulfonic acid is sourced from PubChem (CID 17210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).