3-[(4-Chlorophenyl)sulfonyl]-3-(2,5-difluorophenyl)-1-propanol

HCID 23028792

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(c1ccc(Cl)cc1)C(CCO)c1cc(F)ccc1F
InChIKey: WDLDMUDIXMYYJI-UHFFFAOYSA-N
Molecular formula: C15H13ClF2O3S
Average molar mass: 346.8 g/mol

Names & identifiers

Preferred name: 3-[(4-Chlorophenyl)sulfonyl]-3-(2,5-difluorophenyl)-1-propanol
IUPAC: 3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propan-1-ol

Names & synonyms

SCHEMBL4822301WDLDMUDIXMYYJI-UHFFFAOYSA-N3-[(4-Chlorophenyl)sulfonyl]-3-(2,5-difluorophenyl)-1-propanol

Database identifiers

PubChem CID: 23028792

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 446

Related reactions

7 records

New reaction record

HRID 136943As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 664726As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 748761As productuspto-grants-2008_07

HRID 748762As productuspto-grants-2008_07

HRID 748763As reactantuspto-grants-2008_07

HRID 748779As reactantuspto-grants-2008_07

HRID 1566939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…