Home Other Building Blocks 3-[benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid

3-[benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid

CAS No.:
750610-53-8
Catalog Number:
AG019GOY
Molecular Formula:
C21H19NO5S
Molecular Weight:
397.4443
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Product Description
Catalog Number:
AG019GOY
Chemical Name:
3-[benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CAS Number:
750610-53-8
Molecular Formula:
C21H19NO5S
Molecular Weight:
397.4443
MDL Number:
MFCD03656328
IUPAC Name:
3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C21H19NO5S/c1-27-19-12-10-18(11-13-19)22(15-16-6-3-2-4-7-16)28(25,26)20-9-5-8-17(14-20)21(23)24/h2-14H,15H2,1H3,(H,23,24)
InChI Key:
XLEAUFBAKRTYGQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(S(=O)(=O)c1cccc(c1)C(=O)O)Cc1ccccc1
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.098g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
397.445g/mol
Monoisotopic Mass:
397.098g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
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