US9663460, Example 5

HCID 67973143
NotesReactions
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Basic information

Standard SMILES
O=S(=O)(Nc1cc(Cl)ccc1SCCO)c1ccc(Cl)c(C(F)(F)F)c1
InChIKey
MAJHEZHWQSEZTA-UHFFFAOYSA-N
Molecular formula
C15H12Cl2F3NO3S2
Average molar mass
446.3 g/mol

Names & identifiers

Preferred name
US9663460, Example 5
IUPAC
4-chloro-N-[5-chloro-2-(2-hydroxyethylsulfanyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

Names & synonyms

US9663460, Example 5SCHEMBL9935832CHEMBL5800237BDBM3272184-chloro-N-{5-chloro-2-[(2-hydroxyethyl)thio]-phenyl}-3-(trifluoromethyl)benzenesulfonamide4-chloro-N-{5-chloro-2-[(2-hydroxyethyl)thio]phenyl}-3-(trifluoromethyl)benzenesulfonamide

Database identifiers

PubChem CID
67973143
ChEMBL
CHEMBL5800237

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
26

Related reactions

6 records
New reaction record

Compound notes

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