Home Other Building Blocks 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid

3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid

CAS No.:
748776-34-3
Catalog Number:
AG019GOL
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
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Product Description
Catalog Number:
AG019GOL
Chemical Name:
3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid
CAS Number:
748776-34-3
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
MDL Number:
MFCD03653045
IUPAC Name:
3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid
InChI:
InChI=1S/C16H17NO5S/c1-17(11-12-6-4-3-5-7-12)23(20,21)15-10-13(16(18)19)8-9-14(15)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChI Key:
XXWAFHJMVVRVLT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N(Cc1ccccc1)C)C(=O)O
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.083g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.374g/mol
Monoisotopic Mass:
335.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties