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139294-81-8 | Methanesulfonamide, N-[3-(1,2,2-tricyanoethenyl)-1H-indol-5-yl]-
CAS No: 139294-81-8 Catalog No: AG001AOR MDL No:
Product Description
Catalog Number:
AG001AOR
Chemical Name:
Methanesulfonamide, N-[3-(1,2,2-tricyanoethenyl)-1H-indol-5-yl]-
CAS Number:
139294-81-8
Molecular Formula:
C14H9N5O2S
Molecular Weight:
311.3186
IUPAC Name:
N-[3-(1,2,2-tricyanoethenyl)-1H-indol-5-yl]methanesulfonamide
InChI:
InChI=1S/C14H9N5O2S/c1-22(20,21)19-10-2-3-14-11(4-10)13(8-18-14)12(7-17)9(5-15)6-16/h2-4,8,18-19H,1H3
InChI Key:
XPWSWOUOBHJJSY-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)c1c[nH]c2c1cc(cc2)NS(=O)(=O)C
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.319g/mol
Monoisotopic Mass:
311.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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