Home Sulfos 1-[3-(trifluoromethyl)benzenesulfonyl]piperazine

1-[3-(trifluoromethyl)benzenesulfonyl]piperazine

CAS No.:
97630-01-8
Catalog Number:
AG019J0D
Molecular Formula:
C11H13F3N2O2S
Molecular Weight:
294.2933
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Product Description
Catalog Number:
AG019J0D
Chemical Name:
1-[3-(trifluoromethyl)benzenesulfonyl]piperazine
CAS Number:
97630-01-8
Molecular Formula:
C11H13F3N2O2S
Molecular Weight:
294.2933
MDL Number:
MFCD00227437
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
InChI:
InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-2-1-3-10(8-9)19(17,18)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChI Key:
HIYPETNTYHIVOH-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCNCC1
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.292g/mol
Monoisotopic Mass:
294.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^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