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100342-07-2 | Benzamide, N-[[[2,5-dimethyl-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100342-07-2 Catalog No: AG0001OQ MDL No:
Product Description
Catalog Number:
AG0001OQ
Chemical Name:
Benzamide, N-[[[2,5-dimethyl-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100342-07-2
Molecular Formula:
C18H14F6N2O3S
Molecular Weight:
452.3708
IUPAC Name:
N-[[2,5-dimethyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C18H14F6N2O3S/c1-8-7-13(30(29)18(23,24)16(21)22)9(2)6-12(8)25-17(28)26-15(27)14-10(19)4-3-5-11(14)20/h3-7,16H,1-2H3,(H2,25,26,27,28)
InChI Key:
GYQHXXAGKKBNGO-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C)c(cc1C)S(=O)C(C(F)F)(F)F
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.063g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.371g/mol
Monoisotopic Mass:
452.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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