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

2
Annotation Hits: 0
References: 46
Patents: 362.06042 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.067696	183.0
[M+Na]+	385.049638	193.5
[M-H]-	361.053144	191.1
[M+NH4]+	380.094243	195.5
[M+K]+	401.023578	186.1
[M+H-H2O]+	345.057680	174.8
[M+HCOO]-	407.058621	197.1
[M+CH3COO]-	421.074271	193.8
[M+Na-2H]-	383.035086	184.8
[M]+	362.05987142	186.5
[M]-	362.06096858	186.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe