AG019HSB

Name: 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
Brand: Angene Chemical
SKU: AG019HSB

519152-26-2 | 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid

AG019HSB

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CAS Number	519152-26-2
Catalog Number	AG019HSB
Chemical Name	3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
IUPAC Name	3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
InChI	InChI=1S/C21H16F3NO4S/c22-21(23,24)17-9-5-10-18(13-17)25(14-15-6-2-1-3-7-15)30(28,29)19-11-4-8-16(12-19)20(26)27/h1-13H,14H2,(H,26,27)
InChI Key	QVDGWOUKLZUMRM-UHFFFAOYSA-N
MDL Number	MFCD03480194
Molecular Formula	C21H16F3NO4S
Molecular Weight	435.4162
SMILES	OC(C1=CC(S(N(C2=CC(C(F)(F)F)=CC=C2)CC2=CC=CC=C2)(=O)=O)=CC=C1)=O
Synonyms	3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid, 519152-26-2, MLS001170984, 3-[Benzyl-(3-trifluoromethyl-phenyl)-sulfamoyl]-benzoic acid, 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic Acid, SMR000588512, AC1M5NLJ, AC1Q72TY, SCHEMBL2117247, CHEMBL1600702, BDBM96491, cid_2357158, CTK7I8750, HMS2856N24, ZINC3239586, AKOS034459932, MCULE-6864654169, NE12508, EN300-04563, Z56839998, 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid, CID2357158,

Complexity	685
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	435.075g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	435.417g/mol
Monoisotopic Mass	435.075g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited