Home Sulfos 4-(Pyrrolidin-1-ylsulfonyl)benzoic acid

4-(Pyrrolidin-1-ylsulfonyl)benzoic acid

CAS No.:
19580-33-7
Catalog Number:
AG00APR6
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$138
- +
5g
98%
In Stock USA
United States
$494
- +
10g
98%
In Stock USA
United States
$838
- +
Product Description
Catalog Number:
AG00APR6
Chemical Name:
4-(Pyrrolidin-1-ylsulfonyl)benzoic acid
CAS Number:
19580-33-7
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD00551820
IUPAC Name:
4-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14)
InChI Key:
LTIXOYIZMIXNIK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
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