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1216-97-3 | Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-4-methyl-
CAS No: 1216-97-3 Catalog No: AG0015E1 MDL No:
Product Description
Catalog Number:
AG0015E1
Chemical Name:
Benzenesulfonamide, N-(5-bromo-3-pyridinyl)-4-methyl-
CAS Number:
1216-97-3
Molecular Formula:
C12H11BrN2O2S
Molecular Weight:
327.1969
IUPAC Name:
N-(5-bromopyridin-3-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C12H11BrN2O2S/c1-9-2-4-12(5-3-9)18(16,17)15-11-6-10(13)7-14-8-11/h2-8,15H,1H3
InChI Key:
HELHTYMNOGRXFB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)Br
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.196g/mol
Monoisotopic Mass:
325.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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