CAS 101366-51-2|4-(4-methylphenyl)benzenesulfonyl chloride|4-(4-methylphenyl)benzene-1-sulfonyl chloride|4'-methyl[1,1'-biphenyl]-4-sulfonyl chloride|4'-methylbiphenyl-4-sulfonyl chloride|4-(4-Methy...

General Information

Structure

Molecular Formula

C₁₃H₁₁ClO₂S

Molecular Mass

266.74324

Exact Mass

266.01682827

Charge

InChI

InChI=1S/C13H11ClO2S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)17(14,15)16/h2-9H,1H3

InChIKey

DBYXACYHGMSPMQ-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.0801954

LogD (pH = 7.4)

4.0801954

Log P

4.0801954

Molar Refractivity

70.4296

Polarizability

29.045841

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(4-methylphenyl)benzenesulfonyl chloride

IUPAC name

4-(4-methylphenyl)benzene-1-sulfonyl chloride

Synonyms

4'-methyl[1,1'-biphenyl]-4-sulfonyl chloride4'-methylbiphenyl-4-sulfonyl chloride4-(4-Methylphenyl)benzenesulfonyl chloride4′-Methylbiphenyl-4-sulfonyl chloride4-(p-Tolyl)benzenesulfonyl chloride4-(4-Methylphenyl)benzenesulphonyl chloride4-(Chlorosulphonyl)-4'-methylbiphenyl4'-Methyl-[1,1'-biphenyl]-4-sulphonyl chloride4-[4-(Chlorosulphonyl)phenyl]toluene4'-甲基联苯-4-磺酰氯4'-Methylbiphenyl-4-sulfonyl chloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties