Home Sulfos 1-cyano-S-(4-fluorophenyl)-N-methylmethanesulfonamido

1-cyano-S-(4-fluorophenyl)-N-methylmethanesulfonamido

CAS No.:
1267047-53-9
Catalog Number:
AG01BHF0
Molecular Formula:
C9H9FN2O2S
Molecular Weight:
228.2434
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Product Description
Catalog Number:
AG01BHF0
Chemical Name:
1-cyano-S-(4-fluorophenyl)-N-methylmethanesulfonamido
CAS Number:
1267047-53-9
Molecular Formula:
C9H9FN2O2S
Molecular Weight:
228.2434
MDL Number:
MFCD16128724
IUPAC Name:
N-(cyanomethyl)-4-fluoro-N-methylbenzenesulfonamide
InChI:
InChI=1S/C9H9FN2O2S/c1-12(7-6-11)15(13,14)9-4-2-8(10)3-5-9/h2-5H,7H2,1H3
InChI Key:
HPSBYADRCZNVLY-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1ccc(cc1)F)CC#N
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.241g/mol
Monoisotopic Mass:
228.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties