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Home Aminos 3-{[2-(dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid

3-{[2-(dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid

CAS No.:
565193-17-1
Catalog Number:
AG019GOU
Molecular Formula:
C12H18N2O5S
Molecular Weight:
302.3467
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Product Description
Catalog Number:
AG019GOU
Chemical Name:
3-{[2-(dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid
CAS Number:
565193-17-1
Molecular Formula:
C12H18N2O5S
Molecular Weight:
302.3467
MDL Number:
MFCD03966904
IUPAC Name:
3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid
InChI:
InChI=1S/C12H18N2O5S/c1-14(2)7-6-13-20(17,18)11-8-9(12(15)16)4-5-10(11)19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16)
InChI Key:
WPBKAZMLTNYKBR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NCCN(C)C)C(=O)O
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
302.345g/mol
Monoisotopic Mass:
302.094g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
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