Home Other Building Blocks 3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid

3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid

CAS No.:
775310-75-3
Catalog Number:
AG019K23
Molecular Formula:
C14H11NO6S
Molecular Weight:
321.3052
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Product Description
Catalog Number:
AG019K23
Chemical Name:
3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CAS Number:
775310-75-3
Molecular Formula:
C14H11NO6S
Molecular Weight:
321.3052
MDL Number:
MFCD06346210
IUPAC Name:
3-(1,3-benzodioxol-5-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C14H11NO6S/c16-14(17)9-2-1-3-11(6-9)22(18,19)15-10-4-5-12-13(7-10)21-8-20-12/h1-7,15H,8H2,(H,16,17)
InChI Key:
MZAMQYQULKHFKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)OCO2
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.031g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.303g/mol
Monoisotopic Mass:
321.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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