2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene

C19H14ClFO2S — CID 10832407

IUPAC2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClFO2S/c1-24(22,23)15-9-6-13(7-10-15)16-4-2-3-5-17(16)14-8-11-19(21)18(20)12-14/h2-12H,1H3
InChIKeyDRLYABMZPXHNSE-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.22
Rot. Bonds3

About 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene

2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene (PubChem CID 10832407) has the molecular formula C19H14ClFO2S and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
PubChem CID10832407
Molecular FormulaC19H14ClFO2S
Molecular Weight360.84 g/mol
Exact Mass360.04
IUPAC Name2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClFO2S/c1-24(22,23)15-9-6-13(7-10-15)16-4-2-3-5-17(16)14-8-11-19(21)18(20)12-14/h2-12H,1H3
InChIKeyDRLYABMZPXHNSE-UHFFFAOYSA-N
XLogP5.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene (CID 10832407) is 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene is CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The InChIKey is DRLYABMZPXHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO2S/c1-24(22,23)15-9-6-13(7-10-15)16-4-2-3-5-17(16)14-8-11-19(21)18(20)12-14/h2-12H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene has a molecular weight of 360.84 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[2-(4-methylsulfonylphenyl)phenyl]benzene is sourced from PubChem (CID 10832407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).