sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 4-[(N-benzyl4-chlorobenzenesulfonamido)methyl]benzoic acid

4-[(N-benzyl4-chlorobenzenesulfonamido)methyl]benzoic acid

CAS No.:
721416-48-4
Catalog Number:
AG019HOU
Molecular Formula:
C21H18ClNO4S
Molecular Weight:
415.8899
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019HOU
Chemical Name:
4-[(N-benzyl4-chlorobenzenesulfonamido)methyl]benzoic acid
CAS Number:
721416-48-4
Molecular Formula:
C21H18ClNO4S
Molecular Weight:
415.8899
MDL Number:
MFCD03950716
IUPAC Name:
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
InChI:
InChI=1S/C21H18ClNO4S/c22-19-10-12-20(13-11-19)28(26,27)23(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(24)25/h1-13H,14-15H2,(H,24,25)
InChI Key:
VOEXELGKQPYTIN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)O
Properties
Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.065g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
415.888g/mol
Monoisotopic Mass:
415.065g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
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