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Home > Sulfanilamide > 886493-41-0
886493-41-0 | N-[7-(Hydroxy-phenyl-methyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS No: 886493-41-0 Catalog No: AG01F32O MDL No:
Product Description
Catalog Number:
AG01F32O
Chemical Name:
N-[7-(Hydroxy-phenyl-methyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS Number:
886493-41-0
Molecular Formula:
C22H21NO5S
Molecular Weight:
411.4708
IUPAC Name:
N-[7-[hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H21NO5S/c1-15-7-9-17(10-8-15)29(25,26)23-19-14-21-20(27-11-12-28-21)13-18(19)22(24)16-5-3-2-4-6-16/h2-10,13-14,22-24H,11-12H2,1H3
InChI Key:
SCKBXDTUOHBMOY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(c1ccccc1)O
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.472g/mol
Monoisotopic Mass:
411.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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