[benzenesulfonyl(diazo)methyl]benzene

C13H10N2O2S — CID 15258201

IUPAC[benzenesulfonyl(diazo)methyl]benzene
SMILES[N-]=[N+]=C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c14-15-13(11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h1-10H
InChIKeyWXUDUBZIJPMIQQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.14
Rot. Bonds2

About [benzenesulfonyl(diazo)methyl]benzene

[benzenesulfonyl(diazo)methyl]benzene (PubChem CID 15258201) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is [benzenesulfonyl(diazo)methyl]benzene.

Molecular Properties

Compound Name[benzenesulfonyl(diazo)methyl]benzene
PubChem CID15258201
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name[benzenesulfonyl(diazo)methyl]benzene
SMILES[N-]=[N+]=C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c14-15-13(11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h1-10H
InChIKeyWXUDUBZIJPMIQQ-UHFFFAOYSA-N
XLogP2.14
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

3,6-Diphenyl-2,7-dihydro-1,4,5-thiadiazepine 1,1-dioxide
CID 290029
2-Benzenesulfonyl-benzaldehyde oxime
CID 5408378
Phenyl benzenecarboximidothioate
CID 3347483
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
Bis(P-toluenesulfonyl)diazomethane
CID 11024549
methyl (Z)-N-(benzenesulfonyl)benzenecarboximidothioate
CID 5408817
phenyl (Z)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5556787
phenyl N-(phenylsulfonyl)benzenecarbimidothioate
CID 6343940
(E)-2-(benzenesulfonyl)-3-phenylprop-2-enenitrile
CID 821989
1-Phenyl-2-(phenylsulfonyl)ethanone oxime
CID 5923471
4-Methyl-N-(methylsulfanyl-phenyl-methylene)-benzenesulfonamide
CID 5408818
(E)-1-Phenyl-2-phenylsulfonyl-1-propene
CID 5966011

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(diazo)methyl]benzene?
The IUPAC name of [benzenesulfonyl(diazo)methyl]benzene (CID 15258201) is [benzenesulfonyl(diazo)methyl]benzene.
What is the SMILES notation for [benzenesulfonyl(diazo)methyl]benzene?
The canonical SMILES for [benzenesulfonyl(diazo)methyl]benzene is [N-]=[N+]=C(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(diazo)methyl]benzene?
The InChIKey is WXUDUBZIJPMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-15-13(11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h1-10H.
What are the key properties of [benzenesulfonyl(diazo)methyl]benzene?
[benzenesulfonyl(diazo)methyl]benzene has a molecular weight of 258.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(diazo)methyl]benzene is sourced from PubChem (CID 15258201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).