4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide

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Systematic / IUPAC Name: 4-({[4-(Trifluoromethyl)phenyl]carbamoyl}amino)benzenesulfonamide

ID: Reference3970

Other Names: 3-(4-Sulfamoylphenyl)-1-[4-(trifluoromethyl)phenyl]urea;
Benzenesulfonamide, 4-[({[4-(trifluoromethyl)phenyl]amino}carbonyl)amino]-

Formula: C14H12F3N3O3S

Spectral Data

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/26/2016 8:10:50 AM
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Identificators

InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChI Key PTTQRLLAHZHAEV-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
CAS
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Other Names 3-(4-Sulfamoylphenyl)-1-[4-(trifluoromethyl)phenyl]urea;
Benzenesulfonamide, 4-[({[4-(trifluoromethyl)phenyl]amino}carbonyl)amino]-

In Other Databases

ChemSpider 2091879
PubChem 2813478
ChEMBL CHEMBL1337519