Home Sulfos 2-(N-Methylmethylsulfonamido);benzoic acid

2-(N-Methylmethylsulfonamido);benzoic acid

CAS No.:
401822-72-8
Catalog Number:
AG00I7VX
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00I7VX
Chemical Name:
2-(N-Methylmethylsulfonamido);benzoic acid
CAS Number:
401822-72-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00590216
IUPAC Name:
2-[methyl(methylsulfonyl)amino]benzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-10(15(2,13)14)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
OXAJWSLXTCIFFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N(S(=O)(=O)C)C
Properties
Complexity:
333  
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:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties