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Home Sulfos 5-Nitro-2,N,N-trimethylbenzenesulfonamide

5-Nitro-2,N,N-trimethylbenzenesulfonamide

CAS No.:
433695-36-4
Catalog Number:
AG00D9QQ
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$150
- +
250mg
98%
In Stock USA
United States
$225
- +
1g
98%
In Stock USA
United States
$619
- +
5g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG00D9QQ
Chemical Name:
5-Nitro-2,N,N-trimethylbenzenesulfonamide
CAS Number:
433695-36-4
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD03039912
IUPAC Name:
N,N,2-trimethyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
InChI Key:
IFIUFCJFLGCQPH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]
UNII:
03G869PR3P
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
New classes of PDE7 inhibitors identified by a fission yeast-based HTS. Journal of biomolecular screening 20100401
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Nature chemical biology 20091001
Discovery and structure-activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis. Bioorganic & medicinal chemistry letters 20090415
Discovery of BRL 50481 [3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzene], a selective inhibitor of phosphodiesterase 7: in vitro studies in human monocytes, lung macrophages, and CD8+ T-lymphocytes. Molecular pharmacology 20041201
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. The Journal of biological chemistry 20020419
Properties