Home Sulfos 3-[(Isopropylamino)sulfonyl]benzoic acid

3-[(Isopropylamino)sulfonyl]benzoic acid

CAS No.:
716358-46-2
Catalog Number:
AG00FGXO
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00FGXO
Chemical Name:
3-[(Isopropylamino)sulfonyl]benzoic acid
CAS Number:
716358-46-2
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD05270857
IUPAC Name:
3-(propan-2-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-7(2)11-16(14,15)9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
KYDKEDOKJHAVBZ-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1cccc(c1)C(=O)O)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^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