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Home > Indoles and Oxindole > 114049-43-3
114049-43-3 | Benzenesulfonamide, N-[2-[4-(hexadecyloxy)phenyl]-1H-indol-3-yl]-
CAS No: 114049-43-3 Catalog No: AG000AEQ MDL No:
Product Description
Catalog Number:
AG000AEQ
Chemical Name:
Benzenesulfonamide, N-[2-[4-(hexadecyloxy)phenyl]-1H-indol-3-yl]-
CAS Number:
114049-43-3
Molecular Formula:
C36H48N2O3S
Molecular Weight:
588.8429
IUPAC Name:
N-[2-(4-hexadecoxyphenyl)-1H-indol-3-yl]benzenesulfonamide
InChI:
InChI=1S/C36H48N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-29-41-31-27-25-30(26-28-31)35-36(33-23-18-19-24-34(33)37-35)38-42(39,40)32-21-16-15-17-22-32/h15-19,21-28,37-38H,2-14,20,29H2,1H3
InChI Key:
ZIYBASSHMQIGSP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1)c1[nH]c2c(c1NS(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.339g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
588.851g/mol
Monoisotopic Mass:
588.339g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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