2-(Methylsulfonyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine

HCID 11176443

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1
InChIKey: GNECHOJBAGKMIY-UHFFFAOYSA-N
Molecular formula: C13H11F3N2O4S2
Average molar mass: 380.4 g/mol

Names & identifiers

Preferred name: 2-(Methylsulfonyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine
IUPAC: 2-methylsulfonyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine

Names & synonyms

2-(methylsulfonyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidineSCHEMBL47212922-(methyl-sulfonyl)-4-(4-(methyl-sulfonyl)phenyl)-6-(trifluoro-methyl)-pyrimidine2-(methylsulfonyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-pyrimidine

Database identifiers

PubChem CID: 11176443

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 644

Related reactions

25 records

New reaction record

HRID 6696As reactantuspto-grants-2006_08

HRID 113575As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 186743As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 188113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195082As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 682123As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 933383As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1115064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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