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Home Sulfos 1-(4-Cyanophenyl)-N-isopropylmethanesulfonamide

1-(4-Cyanophenyl)-N-isopropylmethanesulfonamide

CAS No.:
878218-25-8
Catalog Number:
AG00IESH
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$186
- +
5g
98%
In Stock USA
United States
$544
- +
10g
98%
In Stock USA
United States
$808
- +
Product Description
Catalog Number:
AG00IESH
Chemical Name:
1-(4-Cyanophenyl)-N-isopropylmethanesulfonamide
CAS Number:
878218-25-8
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
MDL Number:
MFCD08239623
IUPAC Name:
1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide
InChI:
InChI=1S/C11H14N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3
InChI Key:
JPGWZGPXJCIUHP-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)Cc1ccc(cc1)C#N)C
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties