CID 11069133

5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide

Structural Information

Molecular Formula
C8H7ClFN5O4S3
SMILES
C1=C(C=C(C(=C1F)N)Cl)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
InChIKey
HOLJYLOVIHBQHO-UHFFFAOYSA-N
Compound name
5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

386.93326 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.94054 179.3
[M+Na]+ 409.92248 189.3
[M-H]- 385.92598 181.2
[M+NH4]+ 404.96708 189.7
[M+K]+ 425.89642 180.2
[M+H-H2O]+ 369.93052 172.9
[M+HCOO]- 431.93146 181.4
[M+CH3COO]- 445.94711 213.9
[M+Na-2H]- 407.90793 181.9
[M]+ 386.93271 179.7
[M]- 386.93381 179.7
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