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Home Sulfos 2-Chloro-5-([(2-phenoxyethyl)amino]sulfonyl)benzoic acid

2-Chloro-5-([(2-phenoxyethyl)amino]sulfonyl)benzoic acid

CAS No.:
794573-22-1
Catalog Number:
AG00ID1K
Molecular Formula:
C15H14ClNO5S
Molecular Weight:
355.7934
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Product Description
Catalog Number:
AG00ID1K
Chemical Name:
2-Chloro-5-([(2-phenoxyethyl)amino]sulfonyl)benzoic acid
CAS Number:
794573-22-1
Molecular Formula:
C15H14ClNO5S
Molecular Weight:
355.7934
MDL Number:
MFCD06367365
IUPAC Name:
2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C15H14ClNO5S/c16-14-7-6-12(10-13(14)15(18)19)23(20,21)17-8-9-22-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChI Key:
DGQKUOHWKOMZIA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)NCCOc1ccccc1
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.028g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
355.789g/mol
Monoisotopic Mass:
355.028g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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