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Home > Sulfanilamide > 886493-74-9
886493-74-9 | N-[7-(Furan-2-carbonyl)-2,3-dihydro-benzo[1,4]-dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS No: 886493-74-9 Catalog No: AG01F2C2 MDL No:
Product Description
Catalog Number:
AG01F2C2
Chemical Name:
N-[7-(Furan-2-carbonyl)-2,3-dihydro-benzo[1,4]-dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS Number:
886493-74-9
Molecular Formula:
C20H17NO6S
Molecular Weight:
399.4171
IUPAC Name:
N-[7-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C20H17NO6S/c1-13-4-6-14(7-5-13)28(23,24)21-16-12-19-18(26-9-10-27-19)11-15(16)20(22)17-3-2-8-25-17/h2-8,11-12,21H,9-10H2,1H3
InChI Key:
KHZRTZTUVMUUCA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(=O)c1ccco1
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.078g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.417g/mol
Monoisotopic Mass:
399.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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