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80816-44-0 | Sulfoximine, S-methyl-S-phenyl-N-(phenylsulfonyl)-
CAS No: 80816-44-0 Catalog No: AG005IP7 MDL No:
Product Description
Catalog Number:
AG005IP7
Chemical Name:
Sulfoximine, S-methyl-S-phenyl-N-(phenylsulfonyl)-
CAS Number:
80816-44-0
Molecular Formula:
C13H13NO3S2
Molecular Weight:
295.3772
IUPAC Name:
N-(methyl-oxo-phenyl-λ6-sulfanylidene)benzenesulfonamide
InChI:
InChI=1S/C13H13NO3S2/c1-18(15,12-8-4-2-5-9-12)14-19(16,17)13-10-6-3-7-11-13/h2-11H,1H3
InChI Key:
WSKIJSHREKGODU-UHFFFAOYSA-N
SMILES:
CS(=NS(=O)(=O)c1ccccc1)(=O)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.371g/mol
Monoisotopic Mass:
295.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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