CID 2111037

5-chloro-n-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide

Structural Information

Molecular Formula
C15H17ClN2O2S2
SMILES
C1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C15H17ClN2O2S2/c16-14-8-9-15(21-14)22(19,20)17-12-6-2-3-7-13(12)18-10-4-1-5-11-18/h2-3,6-9,17H,1,4-5,10-11H2
InChIKey
RXDWTDRPUXJDPY-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

12
Patents

356.042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04928 179.3
[M+Na]+ 379.03122 186.9
[M-H]- 355.03472 187.3
[M+NH4]+ 374.07582 193.8
[M+K]+ 395.00516 179.8
[M+H-H2O]+ 339.03926 172.9
[M+HCOO]- 401.04020 185.6
[M+CH3COO]- 415.05585 189.1
[M+Na-2H]- 377.01667 179.2
[M]+ 356.04145 179.9
[M]- 356.04255 179.9
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