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Home Sulfos 2-benzenesulfonamidopropanoic acid

2-benzenesulfonamidopropanoic acid

CAS No.:
42908-31-6
Catalog Number:
AG019J2F
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG019J2F
Chemical Name:
2-benzenesulfonamidopropanoic acid
CAS Number:
42908-31-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD04071580
IUPAC Name:
2-(benzenesulfonamido)propanoic acid
InChI:
InChI=1S/C9H11NO4S/c1-7(9(11)12)10-15(13,14)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
InChI Key:
KHLXTMZRKBVYST-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NS(=O)(=O)c1ccccc1
Properties
Complexity:
314  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
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