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1286274-75-6 | 3-Cyano-N-piperidin-4-yl-benzenesulfonamide hydrochloride
CAS No: 1286274-75-6 Catalog No: AG01F78D MDL No:
Product Description
Catalog Number:
AG01F78D
Chemical Name:
3-Cyano-N-piperidin-4-yl-benzenesulfonamide hydrochloride
CAS Number:
1286274-75-6
Molecular Formula:
C12H16ClN3O2S
Molecular Weight:
301.7923
IUPAC Name:
3-cyano-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
InChI:
InChI=1S/C12H15N3O2S.ClH/c13-9-10-2-1-3-12(8-10)18(16,17)15-11-4-6-14-7-5-11;/h1-3,8,11,14-15H,4-7H2;1H
InChI Key:
OCABYXCMOJPWQP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)NC1CCNCC1.Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.789g/mol
Monoisotopic Mass:
301.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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