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315234-64-1 | N-(2,4-Dimethoxy-benzylidene)-benzenesulfonamide
CAS No: 315234-64-1 Catalog No: AG01F2E4 MDL No:
Product Description
Catalog Number:
AG01F2E4
Chemical Name:
N-(2,4-Dimethoxy-benzylidene)-benzenesulfonamide
CAS Number:
315234-64-1
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
(NE)-N-[(2,4-dimethoxyphenyl)methylidene]benzenesulfonamide
InChI:
InChI=1S/C15H15NO4S/c1-19-13-9-8-12(15(10-13)20-2)11-16-21(17,18)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-11+
InChI Key:
ICQSLCBDRUHEMW-LFIBNONCSA-N
SMILES:
COc1cc(OC)ccc1/C=N/S(=O)(=O)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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