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Home Sulfos Benzoic acid, 4-[methyl[(4-methylphenyl)sulfonyl]amino]-

Benzoic acid, 4-[methyl[(4-methylphenyl)sulfonyl]amino]-

CAS No.:
16879-68-8
Catalog Number:
AG001YAU
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
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Product Description
Catalog Number:
AG001YAU
Chemical Name:
Benzoic acid, 4-[methyl[(4-methylphenyl)sulfonyl]amino]-
CAS Number:
16879-68-8
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD01427489
IUPAC Name:
4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(19,20)16(2)13-7-5-12(6-8-13)15(17)18/h3-10H,1-2H3,(H,17,18)
InChI Key:
WPQPCXKPUOSINE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(=O)O)C
NSC Number:
86647
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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