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

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

CAS No.:
158038-67-6
Catalog Number:
AG00HYH2
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
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Product Description
Catalog Number:
AG00HYH2
Chemical Name:
Benzoic acid, 4-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester
CAS Number:
158038-67-6
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD00586160
IUPAC Name:
methyl 4-[(4-methylphenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(18,19)16-13-7-5-12(6-8-13)15(17)20-2/h3-10,16H,1-2H3
InChI Key:
MMJJVODPBHNFCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
441  
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:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Methyl 4-{[(4-methyl-phen-yl)sulfon-yl]amino}-benzoate. Acta crystallographica. Section E, Structure reports online 20120301
Properties