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16795-60-1 | Benzenesulfonamide, N-[4-(diethylamino)-2-butyn-1-yl]-
CAS No: 16795-60-1 Catalog No: AG001XPU MDL No:
Product Description
Catalog Number:
AG001XPU
Chemical Name:
Benzenesulfonamide, N-[4-(diethylamino)-2-butyn-1-yl]-
CAS Number:
16795-60-1
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
IUPAC Name:
N-[4-(diethylamino)but-2-ynyl]benzenesulfonamide
InChI:
InChI=1S/C14H20N2O2S/c1-3-16(4-2)13-9-8-12-15-19(17,18)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,12-13H2,1-2H3
InChI Key:
VMKCEIPRFUUBHG-UHFFFAOYSA-N
SMILES:
CCN(CC#CCNS(=O)(=O)c1ccccc1)CC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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