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147048-26-8 | Benzenesulfonamide, N-3-butyn-1-yl-4-methyl-N-(3-methyl-2-buten-1-yl)-
CAS No: 147048-26-8 Catalog No: AG001EK3 MDL No:
Product Description
Catalog Number:
AG001EK3
Chemical Name:
Benzenesulfonamide, N-3-butyn-1-yl-4-methyl-N-(3-methyl-2-buten-1-yl)-
CAS Number:
147048-26-8
Molecular Formula:
C16H21NO2S
Molecular Weight:
291.4084
IUPAC Name:
N-but-3-ynyl-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
InChI:
InChI=1S/C16H21NO2S/c1-5-6-12-17(13-11-14(2)3)20(18,19)16-9-7-15(4)8-10-16/h1,7-11H,6,12-13H2,2-4H3
InChI Key:
KRKKYBIKAXEARU-UHFFFAOYSA-N
SMILES:
C#CCCN(S(=O)(=O)c1ccc(cc1)C)CC=C(C)C
Properties
Complexity:
466
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:
0
Isotope Atom Count:
0
Molecular Weight:
291.409g/mol
Monoisotopic Mass:
291.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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