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102247-85-8 | 1-Hexadecanesulfonamide, N-(2,3-dihydro-3-oxo-1H-inden-5-yl)-
CAS No: 102247-85-8 Catalog No: AG00070R MDL No:
Product Description
Catalog Number:
AG00070R
Chemical Name:
1-Hexadecanesulfonamide, N-(2,3-dihydro-3-oxo-1H-inden-5-yl)-
CAS Number:
102247-85-8
Molecular Formula:
C25H41NO3S
Molecular Weight:
435.6629
IUPAC Name:
N-(3-oxo-1,2-dihydroinden-5-yl)hexadecane-1-sulfonamide
InChI:
InChI=1S/C25H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30(28,29)26-23-18-16-22-17-19-25(27)24(22)21-23/h16,18,21,26H,2-15,17,19-20H2,1H3
InChI Key:
FBEVNECQEHWUOT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC2
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.281g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.667g/mol
Monoisotopic Mass:
435.281g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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