[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate

C12H10N2O6S2 — CID 144681395

IUPAC[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
SMILESO=S(=O)(O/N=N/OS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O6S2/c15-21(16,11-7-3-1-4-8-11)19-13-14-20-22(17,18)12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyVDAGAPVCGMPSKO-BUHFOSPRSA-N
MW342.35 g/mol
LogP2.08
Rot. Bonds6

About [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate

[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate (PubChem CID 144681395) has the molecular formula C12H10N2O6S2 and a molecular weight of 342.35 g/mol. Its IUPAC name is [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate.

Molecular Properties

Compound Name[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
PubChem CID144681395
Molecular FormulaC12H10N2O6S2
Molecular Weight342.35 g/mol
Exact Mass342.00
IUPAC Name[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
SMILESO=S(=O)(O/N=N/OS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O6S2/c15-21(16,11-7-3-1-4-8-11)19-13-14-20-22(17,18)12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyVDAGAPVCGMPSKO-BUHFOSPRSA-N
XLogP2.08
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

nitroso benzenesulfonate
CID 88672539
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
(cycloheptylideneamino) benzenesulfonate
CID 87078888
fluoro benzenesulfonate
CID 145272167
amino benzenesulfonate;zinc
CID 175523856
sodium sulfido benzenesulfonate
CID 58825267
CID 88835909
CID 88835909
[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
CID 87078782
[[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 4-methylbenzenesulfonate
CID 5229184
bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
[(E)-[(6E)-4,6-bis(benzenesulfonyloxyimino)heptan-2-ylidene]amino] benzenesulfonate
CID 87328764

Frequently Asked Questions

What is the IUPAC name of [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate?
The IUPAC name of [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate (CID 144681395) is [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate.
What is the SMILES notation for [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate?
The canonical SMILES for [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate is O=S(=O)(O/N=N/OS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate?
The InChIKey is VDAGAPVCGMPSKO-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O6S2/c15-21(16,11-7-3-1-4-8-11)19-13-14-20-22(17,18)12-9-5-2-6-10-12/h1-10H/b14-13+.
What are the key properties of [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate?
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate has a molecular weight of 342.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-benzenesulfonyloxydiazenyl] benzenesulfonate is sourced from PubChem (CID 144681395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).