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Home Sulfos 5-[(Diethylamino)sulfonyl]-2-morpholin-4-ylbenzoic acid

5-[(Diethylamino)sulfonyl]-2-morpholin-4-ylbenzoic acid

CAS No.:
794554-68-0
Catalog Number:
AG00ID1I
Molecular Formula:
C15H22N2O5S
Molecular Weight:
342.4106
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Product Description
Catalog Number:
AG00ID1I
Chemical Name:
5-[(Diethylamino)sulfonyl]-2-morpholin-4-ylbenzoic acid
CAS Number:
794554-68-0
Molecular Formula:
C15H22N2O5S
Molecular Weight:
342.4106
MDL Number:
MFCD06366735
IUPAC Name:
5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C15H22N2O5S/c1-3-17(4-2)23(20,21)12-5-6-14(13(11-12)15(18)19)16-7-9-22-10-8-16/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChI Key:
VUCMZJWEELKWJY-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)C(=O)O)N1CCOCC1)CC
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.125g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
342.41g/mol
Monoisotopic Mass:
342.125g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.5A^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