CAS 17639-64-4|1-[(4-Methylphenyl)sulphonyl]-1H-pyrrole 96%|1-Tosyl-1H-pyrrole|1-(4-methylbenzenesulfonyl)pyrrole|1-(4-methylbenzenesulfonyl)-1H-pyrrole|1-Tosyl-1H-pyrrole|1-(p-Tolylsulfonyl)-pyrrol...

General Information

Structure

Molecular Formula

C₁₁H₁₁NO₂S

Molecular Mass

221.27554

Exact Mass

221.0510496

Charge

InChI

InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3

InChIKey

OXWIEWFMRVJGNY-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)S(=O)(=O)n1cccc1

Isomeric Smiles

n1(cccc1)S(=O)(=O)c1ccc(cc1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4959254

LogD (pH = 7.4)

2.4959254

Log P

2.4959254

Molar Refractivity

58.8783

Polarizability

23.515038

Polar Surface Area

39.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-[(4-Methylphenyl)sulphonyl]-1H-pyrrole 96%1-Tosyl-1H-pyrrole1-Tosyl-1H-pyrrole1-(p-Toluenesulfonyl)-1H-pyrrole1-(p-Tolylsulfonyl)-pyrrole1-(p-Tolylsulfonyl)-1H-pyrrole1-TosylpyrroleN-p-ToluenesulfonylpyrroleN-Tosylpyrrole1-(4-Methylphenylsulfonyl)pyrrole1-(p-Tosyl)-1H-pyrrole1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole1-(p-Tolylsulfonyl)pyrroleN-Tosylpyrrole1-(p-Toluenesulfonyl)pyrrole1-(p-Tolylsulfonyl)pyrroleN-对甲苯磺酰基吡咯1-(p-甲苯磺酰)吡咯

IUPAC name

1-(4-methylbenzenesulfonyl)-1H-pyrrole

IUPAC Traditional name

1-(4-methylbenzenesulfonyl)pyrrole

Names and Identifiers

Registration numbers

MDL Number

MFCD00145014

CAS Number

17639-64-4

PubChem SID

24870371162040426