Home Sulfos 2-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

2-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

CAS No.:
38957-46-9
Catalog Number:
AG019GK0
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019GK0
Chemical Name:
2-(2,4,6-trimethylbenzenesulfonamido)benzoic acid
CAS Number:
38957-46-9
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD00572378
IUPAC Name:
2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C16H17NO4S/c1-10-8-11(2)15(12(3)9-10)22(20,21)17-14-7-5-4-6-13(14)16(18)19/h4-9,17H,1-3H3,(H,18,19)
InChI Key:
BCVASKVMDGEDKG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties