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100341-25-1 | Benzamide, N-[[[3-chloro-4-[(1,1,2,2-tetrafluoroethyl)sulfonyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100341-25-1 Catalog No: AG0001NU MDL No:
Product Description
Catalog Number:
AG0001NU
Chemical Name:
Benzamide, N-[[[3-chloro-4-[(1,1,2,2-tetrafluoroethyl)sulfonyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100341-25-1
Molecular Formula:
C16H9ClF6N2O4S
Molecular Weight:
474.7621
IUPAC Name:
N-[[3-chloro-4-(1,1,2,2-tetrafluoroethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H9ClF6N2O4S/c17-8-6-7(4-5-11(8)30(28,29)16(22,23)14(20)21)24-15(27)25-13(26)12-9(18)2-1-3-10(12)19/h1-6,14H,(H2,24,25,26,27)
InChI Key:
XHSOPTBUHFYQMJ-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)S(=O)(=O)C(C(F)F)(F)F
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.988g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.758g/mol
Monoisotopic Mass:
473.988g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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