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Home > Bromides > 1005785-49-8
1005785-49-8 | 1(2H)-Pyridineacetamide, 5-bromo-2-[[(4-methylphenyl)sulfonyl]imino]-
CAS No: 1005785-49-8 Catalog No: AG0002DN MDL No:
Product Description
Catalog Number:
AG0002DN
Chemical Name:
1(2H)-Pyridineacetamide, 5-bromo-2-[[(4-methylphenyl)sulfonyl]imino]-
CAS Number:
1005785-49-8
Molecular Formula:
C14H14BrN3O3S
Molecular Weight:
384.2483
IUPAC Name:
2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyridin-1-yl]acetamide
InChI:
InChI=1S/C14H14BrN3O3S/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(15)8-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChI Key:
PUGBSRGMLXOMEC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N=c1ccc(cn1CC(=O)N)Br
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.994g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.248g/mol
Monoisotopic Mass:
382.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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