Home Sulfos Proline, 1-[(4-bromophenyl)sulfonyl]-

Proline, 1-[(4-bromophenyl)sulfonyl]-

CAS No.:
251097-16-2
Catalog Number:
AG00I4SD
Molecular Formula:
C11H12BrNO4S
Molecular Weight:
334.1863
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Product Description
Catalog Number:
AG00I4SD
Chemical Name:
Proline, 1-[(4-bromophenyl)sulfonyl]-
CAS Number:
251097-16-2
Molecular Formula:
C11H12BrNO4S
Molecular Weight:
334.1863
MDL Number:
MFCD00172810
IUPAC Name:
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12BrNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChI Key:
ORZCOQODYMJAIP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.967g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.184g/mol
Monoisotopic Mass:
332.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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