Home Other Building Blocks 3-[(3-methylphenyl)sulfamoyl]benzoic acid

3-[(3-methylphenyl)sulfamoyl]benzoic acid

CAS No.:
147410-76-2
Catalog Number:
AG019GLF
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
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Product Description
Catalog Number:
AG019GLF
Chemical Name:
3-[(3-methylphenyl)sulfamoyl]benzoic acid
CAS Number:
147410-76-2
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD01197551
IUPAC Name:
3-[(3-methylphenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H13NO4S/c1-10-4-2-6-12(8-10)15-20(18,19)13-7-3-5-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
SBCGIAAHIVKYKK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties