Home Sulfos 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid

4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid

CAS No.:
1396963-05-5
Catalog Number:
AG019GML
Molecular Formula:
C12H16N2O6S
Molecular Weight:
316.3302
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Product Description
Catalog Number:
AG019GML
Chemical Name:
4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
CAS Number:
1396963-05-5
Molecular Formula:
C12H16N2O6S
Molecular Weight:
316.3302
MDL Number:
MFCD03147413
IUPAC Name:
5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C12H16N2O6S/c1-20-8-2-4-9(5-3-8)21(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17)
InChI Key:
WRHJLQNUJNCDLD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NC(C(=O)O)CCC(=O)N
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.073g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
316.328g/mol
Monoisotopic Mass:
316.073g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties