CID 3840199

3-amino-n-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C16H17Cl2N3O2S
SMILES
C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C16H17Cl2N3O2S/c17-11-3-5-13(18)15(9-11)20-24(22,23)12-4-6-16(14(19)10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,19H2
InChIKey
RTNUTGLRRQCDBS-UHFFFAOYSA-N
Compound name
3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

385.04184 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04912 187.7
[M+Na]+ 408.03106 196.4
[M-H]- 384.03456 195.6
[M+NH4]+ 403.07566 201.0
[M+K]+ 424.00500 188.7
[M+H-H2O]+ 368.03910 181.0
[M+HCOO]- 430.04004 195.2
[M+CH3COO]- 444.05569 215.6
[M+Na-2H]- 406.01651 187.0
[M]+ 385.04129 189.4
[M]- 385.04239 189.4
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

No patent data available for this compound.