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Home Sulfos Ethanimidamide, 2-[[(4-fluorophenyl)methyl]sulfonyl]-N-hydroxy-

Ethanimidamide, 2-[[(4-fluorophenyl)methyl]sulfonyl]-N-hydroxy-

CAS No.:
175276-85-4
Catalog Number:
AG0020RV
Molecular Formula:
C9H11FN2O3S
Molecular Weight:
246.2586
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Product Description
Catalog Number:
AG0020RV
Chemical Name:
Ethanimidamide, 2-[[(4-fluorophenyl)methyl]sulfonyl]-N-hydroxy-
CAS Number:
175276-85-4
Molecular Formula:
C9H11FN2O3S
Molecular Weight:
246.2586
MDL Number:
MFCD00052932
IUPAC Name:
2-[(4-fluorophenyl)methylsulfonyl]-N'-hydroxyethanimidamide
InChI:
InChI=1S/C9H11FN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChI Key:
AVDGZDWBPJLTHN-UHFFFAOYSA-N
SMILES:
ONC(=N)CS(=O)(=O)Cc1ccc(cc1)F
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
246.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.256g/mol
Monoisotopic Mass:
246.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
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