Home Sulfos 4-(5-tert-butyl-2-methylbenzenesulfonamido)benzoic acid

4-(5-tert-butyl-2-methylbenzenesulfonamido)benzoic acid

CAS No.:
380342-90-5
Catalog Number:
AG019GJU
Molecular Formula:
C18H21NO4S
Molecular Weight:
347.4286
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Product Description
Catalog Number:
AG019GJU
Chemical Name:
4-(5-tert-butyl-2-methylbenzenesulfonamido)benzoic acid
CAS Number:
380342-90-5
Molecular Formula:
C18H21NO4S
Molecular Weight:
347.4286
MDL Number:
MFCD02725474
IUPAC Name:
4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C18H21NO4S/c1-12-5-8-14(18(2,3)4)11-16(12)24(22,23)19-15-9-6-13(7-10-15)17(20)21/h5-11,19H,1-4H3,(H,20,21)
InChI Key:
ILODIABXYXEPMB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)C(C)(C)C
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.119g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.429g/mol
Monoisotopic Mass:
347.119g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties