3-(4-chloro-5-ethylsulfonylamino-2-fluorophenyl)-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

HCID 11112479
Substructure searchFind similar structures

Basic information

Standard SMILES
CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl
InChIKey
KTIGZCGHJFYJPH-UHFFFAOYSA-N
Molecular formula
C13H10ClF4N3O4S
Average molar mass
415.75 g/mol

Names & identifiers

Preferred name
3-(4-chloro-5-ethylsulfonylamino-2-fluorophenyl)-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
IUPAC
N-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenyl]ethanesulfonamide

Names & synonyms

3-(4-chloro-5-ethylsulfonylamino-2-fluorophenyl)-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedioneSCHEMBL9123594

Database identifiers

PubChem CID
11112479

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

Loading…