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140704-13-8 | Methanesulfonamide, N-[4-[3-(1,2,2-tricyanoethenyl)-1H-pyrrol-1-yl]phenyl]-
CAS No: 140704-13-8 Catalog No: AG001CPR MDL No:
Product Description
Catalog Number:
AG001CPR
Chemical Name:
Methanesulfonamide, N-[4-[3-(1,2,2-tricyanoethenyl)-1H-pyrrol-1-yl]phenyl]-
CAS Number:
140704-13-8
Molecular Formula:
C16H11N5O2S
Molecular Weight:
337.3558
IUPAC Name:
N-[4-[3-(1,2,2-tricyanoethenyl)pyrrol-1-yl]phenyl]methanesulfonamide
InChI:
InChI=1S/C16H11N5O2S/c1-24(22,23)20-14-2-4-15(5-3-14)21-7-6-12(11-21)16(10-19)13(8-17)9-18/h2-7,11,20H,1H3
InChI Key:
UCHXBCPPNVKRKA-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)c1ccn(c1)c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.357g/mol
Monoisotopic Mass:
337.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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