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Home > Fluorides > 1025506-51-7
1025506-51-7 | Benzenesulfonamide, 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-
CAS No: 1025506-51-7 Catalog No: AG0007PD MDL No:
Product Description
Catalog Number:
AG0007PD
Chemical Name:
Benzenesulfonamide, 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-
CAS Number:
1025506-51-7
Molecular Formula:
C19H17F3N4O2S
Molecular Weight:
422.4241
IUPAC Name:
4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
InChI:
InChI=1S/C19H17F3N4O2S/c1-3-26-17-10-14(19(20,21)22)6-9-16(17)24-18(26)12(2)25-29(27,28)15-7-4-13(11-23)5-8-15/h4-10,12,25H,3H2,1-2H3/t12-/m1/s1
InChI Key:
GJEMHCDKAUSJON-GFCCVEGCSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N[C@@H](c1nc2c(n1CC)cc(cc2)C(F)(F)F)C
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
422.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.426g/mol
Monoisotopic Mass:
422.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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