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Home > Sulfanilamide > 116526-88-6
116526-88-6 | Benzenesulfonamide, N-(4-cyanophenyl)-4-(dodecyloxy)-
CAS No: 116526-88-6 Catalog No: AG000COI MDL No:
Product Description
Catalog Number:
AG000COI
Chemical Name:
Benzenesulfonamide, N-(4-cyanophenyl)-4-(dodecyloxy)-
CAS Number:
116526-88-6
Molecular Formula:
C25H34N2O3S
Molecular Weight:
442.6141
IUPAC Name:
N-(4-cyanophenyl)-4-dodecoxybenzenesulfonamide
InChI:
InChI=1S/C25H34N2O3S/c1-2-3-4-5-6-7-8-9-10-11-20-30-24-16-18-25(19-17-24)31(28,29)27-23-14-12-22(21-26)13-15-23/h12-19,27H,2-11,20H2,1H3
InChI Key:
YSCJWTJHYZKZTO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.229g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.618g/mol
Monoisotopic Mass:
442.229g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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