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55022-46-3 | 4-methyl-N-(prop-2-yn-1-yl)benzene-1-sulfonamide
CAS No: 55022-46-3 Catalog No: AG00IT68 MDL No:MFCD00510805
Product Description
Catalog Number:
AG00IT68
Chemical Name:
4-methyl-N-(prop-2-yn-1-yl)benzene-1-sulfonamide
CAS Number:
55022-46-3
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD00510805
IUPAC Name:
4-methyl-N-prop-2-ynylbenzenesulfonamide
InChI:
InChI=1S/C10H11NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h1,4-7,11H,8H2,2H3
InChI Key:
KZFGYFVUSPCRSG-UHFFFAOYSA-N
SMILES:
C#CCNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Coupling-isomerization-N,S-ketene acetal-addition sequences--a three-component approach to highly fluorescent pyrrolo[2,3-b]pyridines, [1,8]naphthyridines, and pyrido[2,3-b]azepines. | The Journal of organic chemistry 20060428 |
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