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1026785-12-5 | Benzenesulfonamide, N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentafluoro-
CAS No: 1026785-12-5 Catalog No: AG00083F MDL No:
Product Description
Catalog Number:
AG00083F
Chemical Name:
Benzenesulfonamide, N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentafluoro-
CAS Number:
1026785-12-5
Molecular Formula:
C20H15F5N2O2S
Molecular Weight:
442.4023
IUPAC Name:
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
InChI:
InChI=1S/C20H15F5N2O2S/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11/h1-10,18-19,27H,26H2/t18-,19-/m1/s1
InChI Key:
OXFFQNROWDDLTM-RTBURBONSA-N
SMILES:
N[C@@H]([C@@H](c1ccccc1)NS(=O)(=O)c1c(F)c(F)c(c(c1F)F)F)c1ccccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
442.077g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.404g/mol
Monoisotopic Mass:
442.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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