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121668-76-6

121668-76-6 | 1H-Pyrrole, 2-[(4-methylphenyl)sulfonyl]-

CAS No: 121668-76-6 Catalog No: AG0015JF MDL No:

Product Description

Catalog Number:
AG0015JF
Chemical Name:
1H-Pyrrole, 2-[(4-methylphenyl)sulfonyl]-
CAS Number:
121668-76-6
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
2-(4-methylphenyl)sulfonyl-1H-pyrrole
InChI:
InChI=1S/C11H11NO2S/c1-9-4-6-10(7-5-9)15(13,14)11-3-2-8-12-11/h2-8,12H,1H3
InChI Key:
NQTVFNSSDCHPJF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc[nH]1

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
A novel and one-pot synthesis of new 1-tosyl pyrrol-2-one derivatives and analysis of carbonic anhydrase inhibitory potencies. Bioorganic & medicinal chemistry 20100615
1-[(4,5-Dimethyl-cyclo-hexa-1,4-dien-1-yl)sulfon-yl]-4-methyl-benzene. Acta crystallographica. Section E, Structure reports online 20080901

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