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88681-01-0

88681-01-0 | Benzenesulfonamide, N-(2,5-dimethylphenyl)-

CAS No: 88681-01-0 Catalog No: AG0048C5 MDL No:

Product Description

Catalog Number:
AG0048C5
Chemical Name:
Benzenesulfonamide, N-(2,5-dimethylphenyl)-
CAS Number:
88681-01-0
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
N-(2,5-dimethylphenyl)benzenesulfonamide
InChI:
InChI=1S/C14H15NO2S/c1-11-8-9-12(2)14(10-11)15-18(16,17)13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChI Key:
FJVBKKOFCJBFMB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NS(=O)(=O)c1ccccc1)C

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
4-Chloro-N-(2,5-dimethyl-phen-yl)-2-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20111101
2,4-Dichloro-N-(2,5-dimethyl-phen-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20111001
N-(2,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
N-(2,5-Dimethyl-phen-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20091101

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