Home Sulfos 4,5-dimethoxy-2-methylbenzene-1-sulfonamide

4,5-dimethoxy-2-methylbenzene-1-sulfonamide

CAS No.:
60987-21-5
Catalog Number:
AG01BFUO
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
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Product Description
Catalog Number:
AG01BFUO
Chemical Name:
4,5-dimethoxy-2-methylbenzene-1-sulfonamide
CAS Number:
60987-21-5
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
MDL Number:
MFCD11647571
IUPAC Name:
4,5-dimethoxy-2-methylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChI Key:
ILIDHKYQCNECHQ-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)C)S(=O)(=O)N
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties