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133886-40-5 | Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-
CAS No: 133886-40-5 Catalog No: AG007MTX MDL No:
Product Description
Catalog Number:
AG007MTX
Chemical Name:
Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-
CAS Number:
133886-40-5
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
4-methyl-N-prop-2-enyl-N-prop-2-ynylbenzenesulfonamide
InChI:
InChI=1S/C13H15NO2S/c1-4-10-14(11-5-2)17(15,16)13-8-6-12(3)7-9-13/h1,5-9H,2,10-11H2,3H3
InChI Key:
QITLNHICIUWDTD-UHFFFAOYSA-N
SMILES:
C=CCN(S(=O)(=O)c1ccc(cc1)C)CC#C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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