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Home Sulfos 4-amino-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

4-amino-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

CAS No.:
389605-71-4
Catalog Number:
AG019OG0
Molecular Formula:
C8H9F3N2O2S
Molecular Weight:
254.2295
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Product Description
Catalog Number:
AG019OG0
Chemical Name:
4-amino-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
CAS Number:
389605-71-4
Molecular Formula:
C8H9F3N2O2S
Molecular Weight:
254.2295
MDL Number:
MFCD07323956
IUPAC Name:
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
InChI:
InChI=1S/C8H9F3N2O2S/c9-8(10,11)5-13-16(14,15)7-3-1-6(12)2-4-7/h1-4,13H,5,12H2
InChI Key:
CSMJYCQMIGKRQO-UHFFFAOYSA-N
SMILES:
FC(CNS(=O)(=O)c1ccc(cc1)N)(F)F
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.034g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.227g/mol
Monoisotopic Mass:
254.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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