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Home Sulfos Acetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-

Acetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-

CAS No.:
2015-14-7
Catalog Number:
AG002DGX
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
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Product Description
Catalog Number:
AG002DGX
Chemical Name:
Acetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-
CAS Number:
2015-14-7
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD00134434
IUPAC Name:
N-[(4-sulfamoylphenyl)methyl]acetamide
InChI:
InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
AHQONKCJXWTTOW-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1ccc(cc1)S(=O)(=O)N
EC Number:
217-942-5
NSC Number:
29831
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
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