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114991-56-9 | Methanesulfonamide, 1,1,1-trifluoro-N-(6,7,8,9,10,11-hexahydro-5H-cyclooct[b]indol-4-yl)-
CAS No: 114991-56-9 Catalog No: AG000FJ9 MDL No:
Product Description
Catalog Number:
AG000FJ9
Chemical Name:
Methanesulfonamide, 1,1,1-trifluoro-N-(6,7,8,9,10,11-hexahydro-5H-cyclooct[b]indol-4-yl)-
CAS Number:
114991-56-9
Molecular Formula:
C15H17F3N2O2S
Molecular Weight:
346.3679
IUPAC Name:
1,1,1-trifluoro-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-4-yl)methanesulfonamide
InChI:
InChI=1S/C15H17F3N2O2S/c16-15(17,18)23(21,22)20-13-9-5-7-11-10-6-3-1-2-4-8-12(10)19-14(11)13/h5,7,9,19-20H,1-4,6,8H2
InChI Key:
GIVVDBZFAUUHFA-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Nc1cccc2c1[nH]c1c2CCCCCC1)(F)F
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.368g/mol
Monoisotopic Mass:
346.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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