Home Sulfos N-(4-Cyano-2-iodo-5-(trifluoromethyl)phenyl)methanesulfonamide

N-(4-Cyano-2-iodo-5-(trifluoromethyl)phenyl)methanesulfonamide

CAS No.:
868692-62-0
Catalog Number:
AG008EKX
Molecular Formula:
C9H6F3IN2O2S
Molecular Weight:
390.1208
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Product Description
Catalog Number:
AG008EKX
Chemical Name:
N-(4-Cyano-2-iodo-5-(trifluoromethyl)phenyl)methanesulfonamide
CAS Number:
868692-62-0
Molecular Formula:
C9H6F3IN2O2S
Molecular Weight:
390.1208
MDL Number:
MFCD23135374
IUPAC Name:
N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]methanesulfonamide
InChI:
InChI=1S/C9H6F3IN2O2S/c1-18(16,17)15-8-3-6(9(10,11)12)5(4-14)2-7(8)13/h2-3,15H,1H3
InChI Key:
ZYCQEKLESGZXKU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)c(cc1C(F)(F)F)NS(=O)(=O)C
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.915g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.119g/mol
Monoisotopic Mass:
389.915g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties