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767342-44-9 | N-(5-Bromo-pyrazin-2-yl)-N-cyanomethyl-4-methyl-benzenesulfonamide
CAS No: 767342-44-9 Catalog No: AG01F5M8 MDL No:
Product Description
Catalog Number:
AG01F5M8
Chemical Name:
N-(5-Bromo-pyrazin-2-yl)-N-cyanomethyl-4-methyl-benzenesulfonamide
CAS Number:
767342-44-9
Molecular Formula:
C13H11BrN4O2S
Molecular Weight:
367.2210
IUPAC Name:
N-(5-bromopyrazin-2-yl)-N-(cyanomethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H11BrN4O2S/c1-10-2-4-11(5-3-10)21(19,20)18(7-6-15)13-9-16-12(14)8-17-13/h2-5,8-9H,7H2,1H3
InChI Key:
ZDOYXEXOLSPAQA-UHFFFAOYSA-N
SMILES:
N#CCN(S(=O)(=O)c1ccc(cc1)C)c1cnc(cn1)Br
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.979g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.221g/mol
Monoisotopic Mass:
365.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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