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124070-44-6 | Benzenesulfonamide, 4-methyl-N-(1-phenyl-2-heptyn-1-yl)-
CAS No: 124070-44-6 Catalog No: AG000LJN MDL No:
Product Description
Catalog Number:
AG000LJN
Chemical Name:
Benzenesulfonamide, 4-methyl-N-(1-phenyl-2-heptyn-1-yl)-
CAS Number:
124070-44-6
Molecular Formula:
C20H23NO2S
Molecular Weight:
341.4671
IUPAC Name:
4-methyl-N-(1-phenylhept-2-ynyl)benzenesulfonamide
InChI:
InChI=1S/C20H23NO2S/c1-3-4-5-9-12-20(18-10-7-6-8-11-18)21-24(22,23)19-15-13-17(2)14-16-19/h6-8,10-11,13-16,20-21H,3-5H2,1-2H3
InChI Key:
SSPNZOUOMNJVQP-UHFFFAOYSA-N
SMILES:
CCCCC#CC(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.469g/mol
Monoisotopic Mass:
341.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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