Home Sulfos 3-Methylbenzenesulfonamide

3-Methylbenzenesulfonamide

CAS No.:
1899-94-1
Catalog Number:
AG002E4R
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG002E4R
Chemical Name:
3-Methylbenzenesulfonamide
CAS Number:
1899-94-1
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD04066695
IUPAC Name:
3-methylbenzenesulfonamide
InChI:
InChI=1S/C7H9NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:
NVZINPVISUVPHW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)N
EC Number:
217-596-5
UNII:
M2228F53M9
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II). Bioorganic & medicinal chemistry letters 20110101
Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters. Bioorganic & medicinal chemistry letters 20050215
Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach. Bioorganic & medicinal chemistry letters 20041115
Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties. Journal of medicinal chemistry 20020117
(N-[2-(eta[5]cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O)(tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II). Acta crystallographica. Section C, Crystal structure communications 20010401
Properties