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Home Sulfos N,N-dimethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide

N,N-dimethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide

CAS No.:
24962-47-8
Catalog Number:
AG019I9Q
Molecular Formula:
C9H10N2O3S2
Molecular Weight:
258.3173
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Product Description
Catalog Number:
AG019I9Q
Chemical Name:
N,N-dimethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
CAS Number:
24962-47-8
Molecular Formula:
C9H10N2O3S2
Molecular Weight:
258.3173
MDL Number:
MFCD03982050
IUPAC Name:
N,N-dimethyl-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide
InChI:
InChI=1S/C9H10N2O3S2/c1-11(2)16(12,13)6-3-4-8-7(5-6)10-9(15)14-8/h3-5H,1-2H3,(H,10,15)
InChI Key:
JELYMISDBZFUDT-UHFFFAOYSA-N
SMILES:
Sc1oc2c(n1)cc(cc2)S(=O)(=O)N(C)C
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.013g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.31g/mol
Monoisotopic Mass:
258.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties