Home Sulfos 3-[(Methylsulfonyl)amino]-benzoic acid methyl ester

3-[(Methylsulfonyl)amino]-benzoic acid methyl ester

CAS No.:
32087-05-1
Catalog Number:
AG00I62X
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00I62X
Chemical Name:
3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CAS Number:
32087-05-1
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00121326
IUPAC Name:
methyl 3-(methanesulfonamido)benzoate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChI Key:
UQIOKJVVJMHUTP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)NS(=O)(=O)C
Properties
Complexity:
320  
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties