[benzenesulfonyl(diazo)methyl]sulfonylbenzene

C13H10N2O4S2 — CID 11001803

IUPAC[benzenesulfonyl(diazo)methyl]sulfonylbenzene
SMILES[N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
InChIKeyQFKJMDYQKVPGNM-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.52
Rot. Bonds2

About [benzenesulfonyl(diazo)methyl]sulfonylbenzene

[benzenesulfonyl(diazo)methyl]sulfonylbenzene (PubChem CID 11001803) has the molecular formula C13H10N2O4S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [benzenesulfonyl(diazo)methyl]sulfonylbenzene.

Molecular Properties

Compound Name[benzenesulfonyl(diazo)methyl]sulfonylbenzene
PubChem CID11001803
Molecular FormulaC13H10N2O4S2
Molecular Weight322.37 g/mol
Exact Mass322.01
IUPAC Name[benzenesulfonyl(diazo)methyl]sulfonylbenzene
SMILES[N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
InChIKeyQFKJMDYQKVPGNM-UHFFFAOYSA-N
XLogP1.52
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(diazo)methyl]sulfonylbenzene?
The IUPAC name of [benzenesulfonyl(diazo)methyl]sulfonylbenzene (CID 11001803) is [benzenesulfonyl(diazo)methyl]sulfonylbenzene.
What is the SMILES notation for [benzenesulfonyl(diazo)methyl]sulfonylbenzene?
The canonical SMILES for [benzenesulfonyl(diazo)methyl]sulfonylbenzene is [N-]=[N+]=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(diazo)methyl]sulfonylbenzene?
The InChIKey is QFKJMDYQKVPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H.
What are the key properties of [benzenesulfonyl(diazo)methyl]sulfonylbenzene?
[benzenesulfonyl(diazo)methyl]sulfonylbenzene has a molecular weight of 322.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(diazo)methyl]sulfonylbenzene is sourced from PubChem (CID 11001803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).