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Home Other Building Blocks 3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid

3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid

CAS No.:
519152-26-2
Catalog Number:
AG019HSB
Molecular Formula:
C21H16F3NO4S
Molecular Weight:
435.4162
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Product Description
Catalog Number:
AG019HSB
Chemical Name:
3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
CAS Number:
519152-26-2
Molecular Formula:
C21H16F3NO4S
Molecular Weight:
435.4162
MDL Number:
MFCD03480194
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
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N(c1cccc(c1)C(F)(F)F)Cc1ccccc1
Properties
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  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties