Home Other Building Blocks 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid

5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid

CAS No.:
406928-28-7
Catalog Number:
AG019GLC
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
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Product Description
Catalog Number:
AG019GLC
Chemical Name:
5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CAS Number:
406928-28-7
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD02712079
IUPAC Name:
5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
InChI:
InChI=1S/C15H15NO5S/c1-10-3-8-13(9-14(10)15(17)18)22(19,20)16-11-4-6-12(21-2)7-5-11/h3-9,16H,1-2H3,(H,17,18)
InChI Key:
ITRVSHJNWDCFIU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)C(=O)O)C
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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