CID 2742752

3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide

Structural Information

Molecular Formula
C19H13F2N3O2S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4)F
InChI
InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChIKey
GULUFDCOGAXLEP-UHFFFAOYSA-N
Compound name
3-fluoro-N-[2-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
Patents

417.04172 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.04900 192.6
[M+Na]+ 440.03094 205.5
[M-H]- 416.03444 202.5
[M+NH4]+ 435.07554 204.9
[M+K]+ 456.00488 197.2
[M+H-H2O]+ 400.03898 183.7
[M+HCOO]- 462.03992 206.9
[M+CH3COO]- 476.05557 203.5
[M+Na-2H]- 438.01639 191.8
[M]+ 417.04117 196.3
[M]- 417.04227 196.3
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