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90610-67-6

90610-67-6 | N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

CAS No: 90610-67-6 Catalog No: AG019I6T MDL No:MFCD02576871

Product Description

Catalog Number:
AG019I6T
Chemical Name:
N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS Number:
90610-67-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD02576871
IUPAC Name:
N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
InChI:
InChI=1S/C9H11NO4S/c1-10-15(11,12)7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
InChI Key:
PTQOHBUFHOTLIZ-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc2c(c1)OCCO2

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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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