2-Butyl-5-(3-chlorophenyl)-4-{[4-(difluoromethoxy)phenyl]amino}isothiazol-3(2H)-one 1,1-dioxide

HCID 11655461
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Basic information

Standard SMILES
CCCCN1C(=O)C(Nc2ccc(OC(F)F)cc2)=C(c2cccc(Cl)c2)S1(=O)=O
InChIKey
OFVJRCBLYMWGME-UHFFFAOYSA-N
Molecular formula
C20H19ClF2N2O4S
Average molar mass
456.9 g/mol

Names & identifiers

Preferred name
2-Butyl-5-(3-chlorophenyl)-4-{[4-(difluoromethoxy)phenyl]amino}isothiazol-3(2H)-one 1,1-dioxide
IUPAC
2-butyl-5-(3-chlorophenyl)-4-[4-(difluoromethoxy)anilino]-1,1-dioxo-1,2-thiazol-3-one

Names & synonyms

2-Butyl-5-(3-chlorophenyl)-4-{[4-(difluoromethoxy)phenyl]amino}isothiazol-3(2H)-one 1,1-dioxideSCHEMBL3487898

Database identifiers

PubChem CID
11655461

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

Related reactions

2 records
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Linked notes

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