Home Sulfos 4-Methyl-2-(([3-(trifluoromethyl)phenyl]sulfonyl)amino)pentanoic acid

4-Methyl-2-(([3-(trifluoromethyl)phenyl]sulfonyl)amino)pentanoic acid

CAS No.:
251097-65-1
Catalog Number:
AG002QIH
Molecular Formula:
C13H16F3NO4S
Molecular Weight:
339.3306
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$130
- +
1g
1 week
United States
$313
- +
Product Description
Catalog Number:
AG002QIH
Chemical Name:
4-Methyl-2-(([3-(trifluoromethyl)phenyl]sulfonyl)amino)pentanoic acid
CAS Number:
251097-65-1
Molecular Formula:
C13H16F3NO4S
Molecular Weight:
339.3306
MDL Number:
MFCD00173033
IUPAC Name:
4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
InChI:
InChI=1S/C13H16F3NO4S/c1-8(2)6-11(12(18)19)17-22(20,21)10-5-3-4-9(7-10)13(14,15)16/h3-5,7-8,11,17H,6H2,1-2H3,(H,18,19)
InChI Key:
PGVOZRMIHHGLDI-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.075g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.329g/mol
Monoisotopic Mass:
339.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties