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110654-36-9 | Benzenemethanesulfonamide, N-(phenylmethyl)-
CAS No: 110654-36-9 Catalog No: AG0083IG MDL No:
Product Description
Catalog Number:
AG0083IG
Chemical Name:
Benzenemethanesulfonamide, N-(phenylmethyl)-
CAS Number:
110654-36-9
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
N-benzyl-1-phenylmethanesulfonamide
InChI:
InChI=1S/C14H15NO2S/c16-18(17,12-14-9-5-2-6-10-14)15-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChI Key:
FYRBPJQSGABSBF-UHFFFAOYSA-N
SMILES:
O=S(=O)(Cc1ccccc1)NCc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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