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209480-63-7 | Benzenesulfonamide, 4-iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-
CAS No: 209480-63-7 Catalog No: AG002K9B MDL No:
Product Description
Catalog Number:
AG002K9B
Chemical Name:
Benzenesulfonamide, 4-iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-
CAS Number:
209480-63-7
Molecular Formula:
C18H22IN3O3S
Molecular Weight:
487.3550
IUPAC Name:
4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
InChI:
InChI=1S/C18H22IN3O3S.ClH/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16;/h3-8,13,20H,9-12H2,1-2H3;1H
InChI Key:
BFGOZFXMAJBFGI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1CCN(CC1)C)NS(=O)(=O)c1ccc(cc1)I
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.019g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
523.814g/mol
Monoisotopic Mass:
523.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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