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Home > Sulfanilamide > 184041-99-4
184041-99-4 | N-[(2H-1,3-benzodioxol-5-yl)methyl]methanesulfonamide
CAS No: 184041-99-4 Catalog No: AG00IYRP MDL No:MFCD00447902
Product Description
Catalog Number:
AG00IYRP
Chemical Name:
N-[(2H-1,3-benzodioxol-5-yl)methyl]methanesulfonamide
CAS Number:
184041-99-4
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00447902
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
InChI:
InChI=1S/C9H11NO4S/c1-15(11,12)10-5-7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6H2,1H3
InChI Key:
JAOTTZZWODVWDG-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)NCc1ccc2c(c1)OCO2
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:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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