2-Chloro-N-(5,7-dichloro-2,1-benzisothiazol-3-yl)acetamide

HCID 153264

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Basic information

CAS: 70711-14-7
Standard SMILES: O=C(CCl)Nc1snc2c(Cl)cc(Cl)cc12
InChIKey: XLDPUZKEZWJLJL-UHFFFAOYSA-N
Molecular formula: C9H5Cl3N2OS
Average molar mass: 295.6 g/mol
Monoisotopic mass: 293.918817

Names & identifiers

Preferred name: 2-Chloro-N-(5,7-dichloro-2,1-benzisothiazol-3-yl)acetamide
IUPAC: 2-chloro-N-(5,7-dichloro-2,1-benzothiazol-3-yl)acetamide

Names & synonyms

70711-14-7Acetamide, 2-chloro-N-(5,7-dichloro-2,1-benzisothazol-3-yl)-2-chloro-N-(5,7-dichloro-2,1-benzothiazol-3-yl)acetamide2-Chloro-N-(5,7-dichloro-2,1-benzisothiazol-3-yl)acetamideDTXSID90220977

Database identifiers

CAS: 70711-14-7
PubChem CID: 153264
DTXSID: DTXSID90220977
Nikkaji: J551.144E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 281

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