CID 3866644

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

Structural Information

Molecular Formula
C16H17Cl2N3O3S
SMILES
C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)15(9-11)20-25(22,23)12-2-4-16(14(19)10-12)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2
InChIKey
MWXMCPKBDFXORT-UHFFFAOYSA-N
Compound name
3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

401.03677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.04405 188.6
[M+Na]+ 424.02599 196.1
[M-H]- 400.02949 196.5
[M+NH4]+ 419.07059 197.8
[M+K]+ 439.99993 190.2
[M+H-H2O]+ 384.03403 181.1
[M+HCOO]- 446.03497 193.4
[M+CH3COO]- 460.05062 218.7
[M+Na-2H]- 422.01144 190.5
[M]+ 401.03622 190.0
[M]- 401.03732 190.0
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.