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Home > Sulfanilamide > 116450-17-0
116450-17-0 | 1-Hexadecanesulfonamide, N-(2,5-dihydroxy-4-methylphenyl)-
CAS No: 116450-17-0 Catalog No: AG000CI8 MDL No:
Product Description
Catalog Number:
AG000CI8
Chemical Name:
1-Hexadecanesulfonamide, N-(2,5-dihydroxy-4-methylphenyl)-
CAS Number:
116450-17-0
Molecular Formula:
C23H41NO4S
Molecular Weight:
427.6409
IUPAC Name:
N-(2,5-dihydroxy-4-methylphenyl)hexadecane-1-sulfonamide
InChI:
InChI=1S/C23H41NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(27,28)24-21-19-22(25)20(2)18-23(21)26/h18-19,24-26H,3-17H2,1-2H3
InChI Key:
QLJKZJOSFJVIMK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(O)c(cc1O)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.276g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
427.644g/mol
Monoisotopic Mass:
427.276g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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