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112940-54-2 | N-[4-(piperazin-1-yl)phenyl]methanesulfonamide hydrochloride
CAS No: 112940-54-2 Catalog No: AG01A3UL MDL No:MFCD22048034
Product Description
Catalog Number:
AG01A3UL
Chemical Name:
N-[4-(piperazin-1-yl)phenyl]methanesulfonamide hydrochloride
CAS Number:
112940-54-2
Molecular Formula:
C11H18ClN3O2S
Molecular Weight:
291.7975
MDL Number:
MFCD22048034
IUPAC Name:
N-(4-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride
InChI:
InChI=1S/C11H17N3O2S.ClH/c1-17(15,16)13-10-2-4-11(5-3-10)14-8-6-12-7-9-14;/h2-5,12-13H,6-9H2,1H3;1H
InChI Key:
XTCHLADGBZLOCT-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Nc1ccc(cc1)N1CCNCC1.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.794g/mol
Monoisotopic Mass:
291.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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