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Home > Sulfanilamide > 886493-39-6
886493-39-6 | N-[7-(Hydroxy-p-tolyl-methyl)-2,3-dihydro-benzo-[1,4]dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS No: 886493-39-6 Catalog No: AG01F2BL MDL No:
Product Description
Catalog Number:
AG01F2BL
Chemical Name:
N-[7-(Hydroxy-p-tolyl-methyl)-2,3-dihydro-benzo-[1,4]dioxin-6-yl]-4-methyl-benzenesulfonamide
CAS Number:
886493-39-6
Molecular Formula:
C23H23NO5S
Molecular Weight:
425.4974
IUPAC Name:
N-[7-[hydroxy-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C23H23NO5S/c1-15-3-7-17(8-4-15)23(25)19-13-21-22(29-12-11-28-21)14-20(19)24-30(26,27)18-9-5-16(2)6-10-18/h3-10,13-14,23-25H,11-12H2,1-2H3
InChI Key:
NSVINSPRWGVMBW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(c1cc2OCCOc2cc1NS(=O)(=O)c1ccc(cc1)C)O
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.13g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.499g/mol
Monoisotopic Mass:
425.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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