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Home Sulfos 2-[4-(N-methyl4-methylbenzenesulfonamido)phenoxy]acetic acid

2-[4-(N-methyl4-methylbenzenesulfonamido)phenoxy]acetic acid

CAS No.:
722467-62-1
Catalog Number:
AG00IC8U
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
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Product Description
Catalog Number:
AG00IC8U
Chemical Name:
2-[4-(N-methyl4-methylbenzenesulfonamido)phenoxy]acetic acid
CAS Number:
722467-62-1
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
MDL Number:
MFCD03957574
IUPAC Name:
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetic acid
InChI:
InChI=1S/C16H17NO5S/c1-12-3-9-15(10-4-12)23(20,21)17(2)13-5-7-14(8-6-13)22-11-16(18)19/h3-10H,11H2,1-2H3,(H,18,19)
InChI Key:
LGCHJSYHCNININ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.083g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.374g/mol
Monoisotopic Mass:
335.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.3A^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