diazido 1,2-diphenylethene-1,2-disulfonate

C14H10N6O6S2 — CID 54154332

IUPACdiazido 1,2-diphenylethene-1,2-disulfonate
SMILES[N-]=[N+]=NOS(=O)(=O)C(=C(c1ccccc1)S(=O)(=O)ON=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H10N6O6S2/c15-17-19-25-27(21,22)13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28(23,24)26-20-18-16/h1-10H
InChIKeyOJYPQQORARQKIL-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.66
Rot. Bonds8

About diazido 1,2-diphenylethene-1,2-disulfonate

diazido 1,2-diphenylethene-1,2-disulfonate (PubChem CID 54154332) has the molecular formula C14H10N6O6S2 and a molecular weight of 422.40 g/mol. Its IUPAC name is diazido 1,2-diphenylethene-1,2-disulfonate.

Molecular Properties

Compound Namediazido 1,2-diphenylethene-1,2-disulfonate
PubChem CID54154332
Molecular FormulaC14H10N6O6S2
Molecular Weight422.40 g/mol
Exact Mass422.01
IUPAC Namediazido 1,2-diphenylethene-1,2-disulfonate
SMILES[N-]=[N+]=NOS(=O)(=O)C(=C(c1ccccc1)S(=O)(=O)ON=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H10N6O6S2/c15-17-19-25-27(21,22)13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28(23,24)26-20-18-16/h1-10H
InChIKeyOJYPQQORARQKIL-UHFFFAOYSA-N
XLogP3.66
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

benzoyl azide;hydrochloride
CID 174620684
2-oxo-2-phenylacetyl azide
CID 54447915
1,2,2-triphenylethenesulfonic acid
CID 141358047
azido 2-amino-3-phenylpropanoate
CID 77211424
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
[benzenesulfonyl(diazo)methyl]benzene
CID 15258201
azido N-diazosulfamate
CID 18945546
azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
CID 174520180
azido 4-(trifluoromethyl)benzenesulfonate
CID 151268382
methyl benzoate azide
CID 161139797
diamino 1-phenyl-2-(2,3,4,5-tetraaminophenyl)ethene-1,2-disulfonate
CID 57136981
2-azidooxybenzaldehyde
CID 56623850

Frequently Asked Questions

What is the IUPAC name of diazido 1,2-diphenylethene-1,2-disulfonate?
The IUPAC name of diazido 1,2-diphenylethene-1,2-disulfonate (CID 54154332) is diazido 1,2-diphenylethene-1,2-disulfonate.
What is the SMILES notation for diazido 1,2-diphenylethene-1,2-disulfonate?
The canonical SMILES for diazido 1,2-diphenylethene-1,2-disulfonate is [N-]=[N+]=NOS(=O)(=O)C(=C(c1ccccc1)S(=O)(=O)ON=[N+]=[N-])c1ccccc1.
What is the InChIKey of diazido 1,2-diphenylethene-1,2-disulfonate?
The InChIKey is OJYPQQORARQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O6S2/c15-17-19-25-27(21,22)13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28(23,24)26-20-18-16/h1-10H.
What are the key properties of diazido 1,2-diphenylethene-1,2-disulfonate?
diazido 1,2-diphenylethene-1,2-disulfonate has a molecular weight of 422.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diazido 1,2-diphenylethene-1,2-disulfonate is sourced from PubChem (CID 54154332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).