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727-36-6 | N-Benzyl-4-fluorobenzenesulfonamide
CAS No: 727-36-6 Catalog No: AG003SRG MDL No:MFCD01213083
Product Description
Catalog Number:
AG003SRG
Chemical Name:
N-Benzyl-4-fluorobenzenesulfonamide
CAS Number:
727-36-6
Molecular Formula:
C13H12FNO2S
Molecular Weight:
265.3033
MDL Number:
MFCD01213083
IUPAC Name:
N-benzyl-4-fluorobenzenesulfonamide
InChI:
InChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChI Key:
YKJHIJIVPYDTOH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.302g/mol
Monoisotopic Mass:
265.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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