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Home > Sulfanilamide > 670272-62-5
670272-62-5 | Benzenesulfonamide, N-(2-methyl-5-benzothiazolyl)-4-phenoxy-
CAS No: 670272-62-5 Catalog No: AG0064J2 MDL No:
Product Description
Catalog Number:
AG0064J2
Chemical Name:
Benzenesulfonamide, N-(2-methyl-5-benzothiazolyl)-4-phenoxy-
CAS Number:
670272-62-5
Molecular Formula:
C20H16N2O3S2
Molecular Weight:
396.4826
IUPAC Name:
N-(2-methyl-1,3-benzothiazol-5-yl)-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C20H16N2O3S2/c1-14-21-19-13-15(7-12-20(19)26-14)22-27(23,24)18-10-8-17(9-11-18)25-16-5-3-2-4-6-16/h2-13,22H,1H3
InChI Key:
QLTOGGPJWZIDHO-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.06g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.479g/mol
Monoisotopic Mass:
396.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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