Home Sulfos 4-(Piperidine-1-sulfonyl)benzonitrile

4-(Piperidine-1-sulfonyl)benzonitrile

CAS No.:
227935-30-0
Catalog Number:
AG007NQ3
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG007NQ3
Chemical Name:
4-(Piperidine-1-sulfonyl)benzonitrile
CAS Number:
227935-30-0
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD00512381
IUPAC Name:
4-piperidin-1-ylsulfonylbenzonitrile
InChI:
InChI=1S/C12H14N2O2S/c13-10-11-4-6-12(7-5-11)17(15,16)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChI Key:
ALZPXRNJBCXSFR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties