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Home > Sulfanilamide > 205885-38-7
205885-38-7 | Benzenesulfonamide, N-butyl-N-ethynyl-4-methyl-
CAS No: 205885-38-7 Catalog No: AG002AEL MDL No:
Product Description
Catalog Number:
AG002AEL
Chemical Name:
Benzenesulfonamide, N-butyl-N-ethynyl-4-methyl-
CAS Number:
205885-38-7
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
N-butyl-N-ethynyl-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H17NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h2,7-10H,4,6,11H2,1,3H3
InChI Key:
BPQWTKFXHVGVTJ-UHFFFAOYSA-N
SMILES:
CCCCN(S(=O)(=O)c1ccc(cc1)C)C#C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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