Home Sulfos Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-

Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-

CAS No.:
85845-02-9
Catalog Number:
AG008GF7
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
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Product Description
Catalog Number:
AG008GF7
Chemical Name:
Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-
CAS Number:
85845-02-9
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
MDL Number:
MFCD03786832
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
InChI:
InChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChI Key:
YSZHCOBVLXGMJQ-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.013g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.221g/mol
Monoisotopic Mass:
283.013g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties