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139372-08-0 | Benzenesulfonamide, N-(1-ethynylhexyl)-4-methyl-
CAS No: 139372-08-0 Catalog No: AG001AWN MDL No:
Product Description
Catalog Number:
AG001AWN
Chemical Name:
Benzenesulfonamide, N-(1-ethynylhexyl)-4-methyl-
CAS Number:
139372-08-0
Molecular Formula:
C15H21NO2S
Molecular Weight:
279.3977
IUPAC Name:
4-methyl-N-oct-1-yn-3-ylbenzenesulfonamide
InChI:
InChI=1S/C15H21NO2S/c1-4-6-7-8-14(5-2)16-19(17,18)15-11-9-13(3)10-12-15/h2,9-12,14,16H,4,6-8H2,1,3H3
InChI Key:
MUBPFDRQGOTQRE-UHFFFAOYSA-N
SMILES:
CCCCCC(NS(=O)(=O)c1ccc(cc1)C)C#C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.398g/mol
Monoisotopic Mass:
279.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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