Home Sulfos 3-(2-chlorophenyl)-3-(4-acetamidobenzenesulfonamido)propanoic acid

3-(2-chlorophenyl)-3-(4-acetamidobenzenesulfonamido)propanoic acid

CAS No.:
568543-80-6
Catalog Number:
AG019HX3
Molecular Formula:
C17H17ClN2O5S
Molecular Weight:
396.8453
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Product Description
Catalog Number:
AG019HX3
Chemical Name:
3-(2-chlorophenyl)-3-(4-acetamidobenzenesulfonamido)propanoic acid
CAS Number:
568543-80-6
Molecular Formula:
C17H17ClN2O5S
Molecular Weight:
396.8453
MDL Number:
MFCD03964715
IUPAC Name:
3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chlorophenyl)propanoic acid
InChI:
InChI=1S/C17H17ClN2O5S/c1-11(21)19-12-6-8-13(9-7-12)26(24,25)20-16(10-17(22)23)14-4-2-3-5-15(14)18/h2-9,16,20H,10H2,1H3,(H,19,21)(H,22,23)
InChI Key:
PLNZCUGLUFJRDT-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1Cl)NS(=O)(=O)c1ccc(cc1)NC(=O)C
Properties
Complexity:
599  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.055g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
396.842g/mol
Monoisotopic Mass:
396.055g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties