4-(2,4-Dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl-p-toluene sulfonate

HCID 22709007
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1-c1c(C(=O)c2ccc(Cl)cc2Cl)c(C)nn1C
InChIKey
ZTIYVROHPANDTE-UHFFFAOYSA-M
Molecular formula
C19H15Cl2N2O4S-
Average molar mass
438.3 g/mol

Names & identifiers

Preferred name
4-(2,4-Dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl-p-toluene sulfonate
IUPAC
3-[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl]-4-methylbenzenesulfonate

Names & synonyms

ZTIYVROHPANDTE-UHFFFAOYSA-M4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl-p-toluene sulfonate

Database identifiers

PubChem CID
22709007

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
100 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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