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Home Sulfos 2-(Toluene-4-sulfonylamino)-benzoic acid methyl ester

2-(Toluene-4-sulfonylamino)-benzoic acid methyl ester

CAS No.:
50998-74-8
Catalog Number:
AG00DFML
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
Product Description
Catalog Number:
AG00DFML
Chemical Name:
2-(Toluene-4-sulfonylamino)-benzoic acid methyl ester
CAS Number:
50998-74-8
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD00418641
IUPAC Name:
methyl 2-[(4-methylphenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C15H15NO4S/c1-11-7-9-12(10-8-11)21(18,19)16-14-6-4-3-5-13(14)15(17)20-2/h3-10,16H,1-2H3
InChI Key:
PNBYWOIWUKQGPR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)C
EC Number:
610-595-4
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Methyl 2-(p-toluene-sulfonamido)benzoate. Acta crystallographica. Section E, Structure reports online 20100201
Properties