N-((2,5-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamide

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Basic information

CAS: 100341-45-5
Standard SMILES: O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(S(=O)C(F)(F)C(F)F)cc1Cl
InChIKey: MNIKTEFCEWLGCQ-UHFFFAOYSA-N
Molecular formula: C16H8Cl2F6N2O3S
Average molar mass: 493.2 g/mol
Monoisotopic mass: 491.9536877

Names & identifiers

Preferred name: N-((2,5-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamide
IUPAC: N-[[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]-2,6-difluorobenzamide

Names & synonyms

100341-45-5N-((2,5-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamideN-((2,5-Dichloro-4-((1,1,2,2-tetrafluoroethyl)sulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamideN-[[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]-2,6-difluorobenzamideBenzamide, N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-Benzamide,N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-CHEMBL2287854SCHEMBL10505787DTXSID40905404Benzamide, N-(((2,5-dichloro-4-((1,1,2,2- tetrafluoroethyl)sulfinyl)phenyl)amino)carbonyl)-2,6-difluoro-N-(2,6-difluorobenzoyl)-N'-[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]ureaN-{[2,5-Dichloro-4-(1,1,2,2-tetrafluoroethanesulfinyl)phenyl]carbamoyl}-2,6-difluorobenzene-1-carboximidic acid

Database identifiers

CAS: 100341-45-5
PubChem CID: 180845
DTXSID: DTXSID40905404
ChEMBL: CHEMBL2287854
Nikkaji: J467.999G

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 94.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 667

Related reactions

2 records

New reaction record

HRID 1113932As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1905450As productuspto-grants-1989_06

Compound notes

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