CID 4447453

N-{2-[(phenylsulfonyl)amino]phenyl}benzenesulfonamide

Structural Information

Molecular Formula
C18H16N2O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4S2/c21-25(22,15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)20-26(23,24)16-11-5-2-6-12-16/h1-14,19-20H
InChIKey
WTPGRAZMHGUBLF-UHFFFAOYSA-N
Compound name
N-[2-(benzenesulfonamido)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

388.05515 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06243 187.5
[M+Na]+ 411.04437 194.0
[M-H]- 387.04787 196.1
[M+NH4]+ 406.08897 197.8
[M+K]+ 427.01831 186.9
[M+H-H2O]+ 371.05241 178.6
[M+HCOO]- 433.05335 201.6
[M+CH3COO]- 447.06900 215.3
[M+Na-2H]- 409.02982 194.8
[M]+ 388.05460 188.6
[M]- 388.05570 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe