CID 178141

Sulfaclorazole

Structural Information

Molecular Formula
C16H15ClN4O2S
SMILES
CC1=NN(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H15ClN4O2S/c1-11-9-16(21(19-11)14-4-2-3-12(17)10-14)20-24(22,23)15-7-5-13(18)6-8-15/h2-10,20H,18H2,1H3
InChIKey
TZSHGYFVCVETTH-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

362.06042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06770 183.0
[M+Na]+ 385.04964 193.5
[M-H]- 361.05314 191.1
[M+NH4]+ 380.09424 195.5
[M+K]+ 401.02358 186.1
[M+H-H2O]+ 345.05768 174.8
[M+HCOO]- 407.05862 197.1
[M+CH3COO]- 421.07427 193.8
[M+Na-2H]- 383.03509 184.8
[M]+ 362.05987 186.5
[M]- 362.06097 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.