Home Sulfos 2-benzenesulfonamido-4-methanesulfonylbutanoic acid

2-benzenesulfonamido-4-methanesulfonylbutanoic acid

CAS No.:
497141-51-2
Catalog Number:
AG019OK9
Molecular Formula:
C11H15NO6S2
Molecular Weight:
321.3699
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Product Description
Catalog Number:
AG019OK9
Chemical Name:
2-benzenesulfonamido-4-methanesulfonylbutanoic acid
CAS Number:
497141-51-2
Molecular Formula:
C11H15NO6S2
Molecular Weight:
321.3699
MDL Number:
MFCD03034476
IUPAC Name:
2-(benzenesulfonamido)-4-methylsulfonylbutanoic acid
InChI:
InChI=1S/C11H15NO6S2/c1-19(15,16)8-7-10(11(13)14)12-20(17,18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,13,14)
InChI Key:
FAHUCQPCECQZOD-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1ccccc1)CCS(=O)(=O)C
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.034g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.362g/mol
Monoisotopic Mass:
321.034g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties