5183-78-8,MFCD00025023
Catalog No.:AA0035BJ

5183-78-8 | N-methylbenzenesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$28.00   $19.00
- +
1g
98%
in stock  
$29.00   $20.00
- +
25g
>98.0%(GC)
in stock  
$37.00   $26.00
- +
500g
>98.0%(GC)
in stock  
$415.00   $291.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0035BJ
Chemical Name:
N-methylbenzenesulfonamide
CAS Number:
5183-78-8
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00025023
SMILES:
CNS(=O)(=O)c1ccccc1
NSC Number:
15404
Properties
Properties
 
BP:
284°C at 760 mmHg  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
199  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Literature

Title: N,N'-[(1S,2S)-Cyclo-hexane-1,2-di-yl]bis-(4-methyl-benzene-sulfonamide).

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 4-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: N-(3,4-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110101

Title: 3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors.

Journal: International journal of molecular sciences 20110101

Title: N-(4-Chloro-pyridin-2-yl)-N-meth-oxy-methyl-4-methyl-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: 4-Methyl-N-(4-methyl-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM.

Journal: Journal of chemical information and modeling 20100101

Title: Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.

Journal: PLoS neglected tropical diseases 20090201

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SDS
Tags:5183-78-8 Molecular Formula|5183-78-8 MDL|5183-78-8 SMILES|5183-78-8 N-methylbenzenesulfonamide
Catalog No.: AA0035BJ
5183-78-8,MFCD00025023
5183-78-8 | N-methylbenzenesulfonamide
Pack Size: 250mg
Purity: 98%
in stock
$28.00 $19.00
Pack Size: 1g
Purity: 98%
in stock
$29.00 $20.00
Pack Size: 25g
Purity: >98.0%(GC)
in stock
$37.00 $26.00
Pack Size: 500g
Purity: >98.0%(GC)
in stock
$415.00 $291.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0035BJ
Chemical Name: N-methylbenzenesulfonamide
CAS Number: 5183-78-8
Molecular Formula: C7H9NO2S
Molecular Weight: 171.2169
MDL Number: MFCD00025023
SMILES: CNS(=O)(=O)c1ccccc1
NSC Number: 15404
Properties
BP: 284°C at 760 mmHg  
Storage: Keep in dry area;Room Temperature;  
Complexity: 199  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Literature fold

Title: N,N'-[(1S,2S)-Cyclo-hexane-1,2-di-yl]bis-(4-methyl-benzene-sulfonamide).

Journal: Acta crystallographica. Section E, Structure reports online20110501

Title: 4-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20110401

Title: N-(3,4-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20110101

Title: 3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors.

Journal: International journal of molecular sciences20110101

Title: N-(4-Chloro-pyridin-2-yl)-N-meth-oxy-methyl-4-methyl-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20101201

Title: 4-Methyl-N-(4-methyl-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20100601

Title: Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM.

Journal: Journal of chemical information and modeling20100101

Title: Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.

Journal: PLoS neglected tropical diseases20090201

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