Home Sulfos 2-(piperazine-1-sulfonyl)benzonitrile hydrochloride

2-(piperazine-1-sulfonyl)benzonitrile hydrochloride

CAS No.:
1803586-99-3
Catalog Number:
AG019L6K
Molecular Formula:
C11H14ClN3O2S
Molecular Weight:
287.7658
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Product Description
Catalog Number:
AG019L6K
Chemical Name:
2-(piperazine-1-sulfonyl)benzonitrile hydrochloride
CAS Number:
1803586-99-3
Molecular Formula:
C11H14ClN3O2S
Molecular Weight:
287.7658
MDL Number:
MFCD28145648
IUPAC Name:
2-piperazin-1-ylsulfonylbenzonitrile;hydrochloride
InChI:
InChI=1S/C11H13N3O2S.ClH/c12-9-10-3-1-2-4-11(10)17(15,16)14-7-5-13-6-8-14;/h1-4,13H,5-8H2;1H
InChI Key:
AOVZTABTIPEZTE-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1S(=O)(=O)N1CCNCC1.Cl
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.05g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.762g/mol
Monoisotopic Mass:
287.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties