Home Other Building Blocks 4-[(butan-2-yl)sulfamoyl]benzoic acid

4-[(butan-2-yl)sulfamoyl]benzoic acid

CAS No.:
436091-85-9
Catalog Number:
AG019K2D
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG019K2D
Chemical Name:
4-[(butan-2-yl)sulfamoyl]benzoic acid
CAS Number:
436091-85-9
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD04035136
IUPAC Name:
4-(butan-2-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H15NO4S/c1-3-8(2)12-17(15,16)10-6-4-9(5-7-10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChI Key:
WANWYPLZKGZMTG-UHFFFAOYSA-N
SMILES:
CCC(NS(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties