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100341-79-5 | Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-2-methylphenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100341-79-5 Catalog No: AG0001NN MDL No:
Product Description
Catalog Number:
AG0001NN
Chemical Name:
Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-2-methylphenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100341-79-5
Molecular Formula:
C17H12ClF5N2O4S
Molecular Weight:
470.7982
IUPAC Name:
N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-2-methylphenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C17H12ClF5N2O4S/c1-8-7-9(30(28,29)17(22,23)15(18)21)5-6-12(8)24-16(27)25-14(26)13-10(19)3-2-4-11(13)20/h2-7,15H,1H3,(H2,24,25,26,27)
InChI Key:
DCOVPDBQSQOHDS-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1C)S(=O)(=O)C(C(Cl)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:
470.013g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.795g/mol
Monoisotopic Mass:
470.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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