Home Sulfos 4-(2-methanesulfonamidoethyl)benzoic acid

4-(2-methanesulfonamidoethyl)benzoic acid

CAS No.:
79094-22-7
Catalog Number:
AG019PGD
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
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Product Description
Catalog Number:
AG019PGD
Chemical Name:
4-(2-methanesulfonamidoethyl)benzoic acid
CAS Number:
79094-22-7
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD07838454
IUPAC Name:
4-[2-(methanesulfonamido)ethyl]benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-16(14,15)11-7-6-8-2-4-9(5-3-8)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:
WYIOCTBMAODUCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CCNS(=O)(=O)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^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
Properties