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89503-67-3 | 1-Naphthalenesulfonamide, 2-hexyl-
CAS No: 89503-67-3 Catalog No: AG0087N5 MDL No:
Product Description
Catalog Number:
AG0087N5
Chemical Name:
1-Naphthalenesulfonamide, 2-hexyl-
CAS Number:
89503-67-3
Molecular Formula:
C16H21NO2S
Molecular Weight:
291.4084
IUPAC Name:
2-hexylnaphthalene-1-sulfonamide
InChI:
InChI=1S/C16H21NO2S/c1-2-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)20(17,18)19/h6-8,10-12H,2-5,9H2,1H3,(H2,17,18,19)
InChI Key:
SQQXQQCEBBIUTL-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc2c(c1S(=O)(=O)N)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.409g/mol
Monoisotopic Mass:
291.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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