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886493-71-6 | N-[7-(3-Bromo-benzoyl)-2,3-dihydro-benzo[1,4]-dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS No: 886493-71-6 Catalog No: AG01F2C7 MDL No:
Product Description
Catalog Number:
AG01F2C7
Chemical Name:
N-[7-(3-Bromo-benzoyl)-2,3-dihydro-benzo[1,4]-dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS Number:
886493-71-6
Molecular Formula:
C22H18BrNO5S
Molecular Weight:
488.3510
IUPAC Name:
N-[7-(3-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H18BrNO5S/c1-14-5-7-17(8-6-14)30(26,27)24-19-13-21-20(28-9-10-29-21)12-18(19)22(25)15-3-2-4-16(23)11-15/h2-8,11-13,24H,9-10H2,1H3
InChI Key:
SCQXWMMSPPUKQM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(=O)c1cccc(c1)Br
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.009g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
488.352g/mol
Monoisotopic Mass:
487.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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