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1235406-89-9 | Benzenesulfonamide, N-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluoro-N-1,2,4-thiadiazol-5-yl-
CAS No: 1235406-89-9 Catalog No: AG000KRD MDL No:MFCD22201200
Product Description
Catalog Number:
AG000KRD
Chemical Name:
Benzenesulfonamide, N-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluoro-N-1,2,4-thiadiazol-5-yl-
CAS Number:
1235406-89-9
Molecular Formula:
C17H14F3N3O4S2
Molecular Weight:
445.4360
MDL Number:
MFCD22201200
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C17H14F3N3O4S2/c1-26-11-4-3-10(15(5-11)27-2)8-23(17-21-9-22-28-17)29(24,25)16-7-13(19)12(18)6-14(16)20/h3-7,9H,8H2,1-2H3
InChI Key:
WHVAGQIOVODUCH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)CN(S(=O)(=O)c1cc(F)c(cc1F)F)c1ncns1
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.038g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.431g/mol
Monoisotopic Mass:
445.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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