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123045-62-5 | 4-Phenoxybenzenesulfonamide
CAS No: 123045-62-5 Catalog No: AG009IQV MDL No:MFCD00623227
Product Description
Catalog Number:
AG009IQV
Chemical Name:
4-Phenoxybenzenesulfonamide
CAS Number:
123045-62-5
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD00623227
IUPAC Name:
4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChI Key:
JVMQLNXAPHLKDV-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^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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