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Home Sulfos 3-([(2,2,2-Trifluoroethyl)amino]sulfonyl)benzoic acid

3-([(2,2,2-Trifluoroethyl)amino]sulfonyl)benzoic acid

CAS No.:
610259-77-3
Catalog Number:
AG00IASJ
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
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Product Description
Catalog Number:
AG00IASJ
Chemical Name:
3-([(2,2,2-Trifluoroethyl)amino]sulfonyl)benzoic acid
CAS Number:
610259-77-3
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
MDL Number:
MFCD05270094
IUPAC Name:
3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C9H8F3NO4S/c10-9(11,12)5-13-18(16,17)7-3-1-2-6(4-7)8(14)15/h1-4,13H,5H2,(H,14,15)
InChI Key:
HWLSXRKETRVKLM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCC(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:
1.5  
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