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Home > Sulfanilamide > 144488-74-4
144488-74-4 | Benzenesulfonamide, 4-ethoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No: 144488-74-4 Catalog No: AG001JML MDL No:
Product Description
Catalog Number:
AG001JML
Chemical Name:
Benzenesulfonamide, 4-ethoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS Number:
144488-74-4
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
IUPAC Name:
4-ethoxy-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
InChI:
InChI=1S/C14H13NO4S/c1-2-19-13-7-9-14(10-8-13)20(17,18)15-11-3-5-12(16)6-4-11/h3-10H,2H2,1H3
InChI Key:
YQJSAIJUENBQLR-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)C=C1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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