Home Sulfos 2,4-dichloro-5-[(diethylamino)sulfonyl]benzoic acid

2,4-dichloro-5-[(diethylamino)sulfonyl]benzoic acid

CAS No.:
95454-00-5
Catalog Number:
AG00JEGN
Molecular Formula:
C11H13Cl2NO4S
Molecular Weight:
326.1962
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Product Description
Catalog Number:
AG00JEGN
Chemical Name:
2,4-dichloro-5-[(diethylamino)sulfonyl]benzoic acid
CAS Number:
95454-00-5
Molecular Formula:
C11H13Cl2NO4S
Molecular Weight:
326.1962
MDL Number:
MFCD00760907
IUPAC Name:
2,4-dichloro-5-(diethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H13Cl2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChI Key:
PJAZEADZNVJRAL-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cc(C(=O)O)c(cc1Cl)Cl)CC
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.994g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.188g/mol
Monoisotopic Mass:
324.994g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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