Home Sulfos 4-(butane-1-sulfonamido)benzoic acid

4-(butane-1-sulfonamido)benzoic acid

CAS No.:
860695-87-0
Catalog Number:
AG019N3Y
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG019N3Y
Chemical Name:
4-(butane-1-sulfonamido)benzoic acid
CAS Number:
860695-87-0
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD09049184
IUPAC Name:
4-(butylsulfonylamino)benzoic acid
InChI:
InChI=1S/C11H15NO4S/c1-2-3-8-17(15,16)12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChI Key:
WSALSUOCAIDWHH-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
339  
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:
6  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties