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100200-71-3 | Benzenesulfonamide, N-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
CAS No: 100200-71-3 Catalog No: AG000193 MDL No:
Product Description
Catalog Number:
AG000193
Chemical Name:
Benzenesulfonamide, N-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
CAS Number:
100200-71-3
Molecular Formula:
C15H13NO4S
Molecular Weight:
303.3330
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C15H13NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-9-12-4-7-14-15(8-12)20-10-19-14/h2-9H,10H2,1H3
InChI Key:
FAAORLFQSDBSJE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N=Cc1ccc2c(c1)OCO2
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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