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Diphenylmethane-4,4'-disulfonamide

HCID 749795
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Basic information

CAS
535-66-0
Standard SMILES
NS(=O)(=O)c1ccc(Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIKey
YYAMOMYEENPVSP-UHFFFAOYSA-N
Molecular formula
C13H14N2O4S2
Average molar mass
326.4 g/mol
Monoisotopic mass
326.03949928

Names & identifiers

Preferred name
Diphenylmethane-4,4'-disulfonamide
IUPAC
4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
English name
Diphenylmethansulfonamlide
Molecular formula
C13H14N2O4S2
Molecular weight
326.39

Names & synonyms

LiowasDiphenylmethane-4,4'-disulfonamide535-66-0DiurodinNirexonPolidralBis(p-sulfamoylphenyl)methane4,4'-Methylenebis(benzenesulfonamide)3XX3D53Z2MDIPHENYLMETHANSULFONAMLIDE4-[(4-sulfamoylphenyl)methyl]benzenesulfonamideUNII-3XX3D53Z2M
Show more names
4,4'-Disulfamoyldiphenylmethane
Benzenesulfonamide, 4,4'-meethylenebis-CBDivE_011091SCHEMBL309694Diphenylmethan-4,4'-disulfonamidDTXSID00968232YYAMOMYEENPVSP-UHFFFAOYSA-NBenzenesulfonamide, 4,4'-methylenebis-4,4'-Methylenedi(benzene-1-sulfonamide)

Database identifiers

CAS
535-66-0
PubChem CID
749795
DTXSID
DTXSID00968232
UNII
3XX3D53Z2M
Nikkaji
J39.678H

Properties

Computed structural properties

XLogP
1
Topological polar surface area
137 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
482

Physicochemical properties

Melting point
178 · 178-180 °C
Boiling point
576 · 576.0±60.0 °C(Predicted)
Density
1.439 · 1.439±0.06 g/cm3(Predicted)
pka
9.81 · 9.81±0.10(Predicted)
FDA UNII
3 XX3D53Z2M · 3XX3D53Z2M

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Compound notes

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