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Home Sulfos Methyl 4-methanesulfonamidobenzoate

Methyl 4-methanesulfonamidobenzoate

CAS No.:
50790-28-8
Catalog Number:
AG00DFNS
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$113
- +
5g
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG00DFNS
Chemical Name:
Methyl 4-methanesulfonamidobenzoate
CAS Number:
50790-28-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00590400
IUPAC Name:
methyl 4-(methanesulfonamido)benzoate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)7-3-5-8(6-4-7)10-15(2,12)13/h3-6,10H,1-2H3
InChI Key:
QFDZXBAQIPTWSB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
312  
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:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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