Home Sulfos Dimethyl 2-(phenylsulfonamido)terephthalate

Dimethyl 2-(phenylsulfonamido)terephthalate

CAS No.:
321531-64-0
Catalog Number:
AG003PL0
Molecular Formula:
C16H15NO6S
Molecular Weight:
349.3584
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Product Description
Catalog Number:
AG003PL0
Chemical Name:
Dimethyl 2-(phenylsulfonamido)terephthalate
CAS Number:
321531-64-0
Molecular Formula:
C16H15NO6S
Molecular Weight:
349.3584
MDL Number:
MFCD01115677
IUPAC Name:
dimethyl 2-(benzenesulfonamido)benzene-1,4-dicarboxylate
InChI:
InChI=1S/C16H15NO6S/c1-22-15(18)11-8-9-13(16(19)23-2)14(10-11)17-24(20,21)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChI Key:
NIAIIHQWIMCYDK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1NS(=O)(=O)c1ccccc1)C(=O)OC
Properties
Complexity:
549  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.062g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.357g/mol
Monoisotopic Mass:
349.062g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties