4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride

HCID 57731928

Basic information

Standard SMILES
O=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Cl)cc1
InChIKey
KRDKZNSBLAXPMX-UHFFFAOYSA-N
Molecular formula
C15H10Cl2F3NO3S
Average molar mass
412.2 g/mol
Monoisotopic mass
410.9710542

Names & identifiers

Preferred name
4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride
IUPAC
4-[[3-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]benzenesulfonyl chloride

Names & synonyms

4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride4-({[3-chloro-4-(trifluoromethyl)benzyl]amino}carbonyl)benzenesulfonyl chlorideSCHEMBL3154391

Database identifiers

PubChem CID
57731928

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

Related reactions

5 records

Compound notes

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