Home Sulfos 2-Methyl-5-(morpholin-4-ylsulfonyl)benzoic acid

2-Methyl-5-(morpholin-4-ylsulfonyl)benzoic acid

CAS No.:
327084-75-3
Catalog Number:
AG00I68E
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
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Product Description
Catalog Number:
AG00I68E
Chemical Name:
2-Methyl-5-(morpholin-4-ylsulfonyl)benzoic acid
CAS Number:
327084-75-3
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
MDL Number:
MFCD01469392
IUPAC Name:
2-methyl-5-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO5S/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChI Key:
XKOLKXFUAFTEET-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)S(=O)(=O)N1CCOCC1
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.067g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.314g/mol
Monoisotopic Mass:
285.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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