CAS 1623-93-4|4-phenylbenzene-1-sulfonyl chloride|4-phenylbenzenesulfonyl chloride|Biphenyl-4-sulphonyl chloride|4-Phenylbenzenesulfonyl chloride|4-联苯基磺酰氯|Biphenyl-4-sulfonyl chloride|4-phenyl...

General Information

Structure

Molecular Formula

C₁₂H₉ClO₂S

Molecular Mass

252.71666

Exact Mass

252.00117821

Charge

InChI

InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

ALBQXDHCMLLQMB-UHFFFAOYSA-N

Canonic Smiles

ClS(=O)(=O)c1ccc(cc1)c1ccccc1

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)c1ccccc1)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.5667741

LogD (pH = 7.4)

3.5667741

Log P

3.5667741

Molar Refractivity

65.3884

Polarizability

27.281916

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-phenylbenzene-1-sulfonyl chloride

IUPAC Traditional name

4-phenylbenzenesulfonyl chloride

Synonyms

Biphenyl-4-sulphonyl chloride4-Phenylbenzenesulfonyl chloride4-联苯基磺酰氯Biphenyl-4-sulfonyl chloride4-phenylbenzene-1-sulfonyl chloridep-Phenylbenzenesulfonyl chloride4-(Chlorosulfonyl)biphenyl(4-Biphenylyl)sulfonyl chloride4-Phenylbenzenesulfonic acid chloridep-Biphenylsulfonyl chloride联苯-4-磺酰氯[1,1'-Biphenyl]-4-sulfonyl chloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Linear Formula

C6H5C6H4SO2Cl

Purity

95%

95+%

97%

Physical Property

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Sigma Aldrich

536938

Packaging
5 g in glass bottle
Application
Reactant for:
• Preparation of anilinopyrimidinesulfonamides as potential anticancer agents1
• Synthesis of inhibitors of the hypoxia inducible factor pathway2
• Preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors3
• Palladium-catalyzed desulfitative C-arylation4

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity