Home Sulfos 2-(4-Fluorophenylsulfonamido)-3-phenylpropanoic acid

2-(4-Fluorophenylsulfonamido)-3-phenylpropanoic acid

CAS No.:
40279-96-7
Catalog Number:
AG0073QC
Molecular Formula:
C15H14FNO4S
Molecular Weight:
323.3394
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$82
- +
1g
1 week
United States
$127
- +
Product Description
Catalog Number:
AG0073QC
Chemical Name:
2-(4-Fluorophenylsulfonamido)-3-phenylpropanoic acid
CAS Number:
40279-96-7
Molecular Formula:
C15H14FNO4S
Molecular Weight:
323.3394
MDL Number:
MFCD00173011
IUPAC Name:
2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)
InChI Key:
JRSXZZNEKZTTJP-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1ccc(cc1)F)Cc1ccccc1
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.063g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
323.338g/mol
Monoisotopic Mass:
323.063g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties