Home Sulfos 4-cyano-3-(trifluoromethyl)benzene-1-sulfonamide

4-cyano-3-(trifluoromethyl)benzene-1-sulfonamide

CAS No.:
923676-92-0
Catalog Number:
AG019K67
Molecular Formula:
C8H5F3N2O2S
Molecular Weight:
250.1977
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Product Description
Catalog Number:
AG019K67
Chemical Name:
4-cyano-3-(trifluoromethyl)benzene-1-sulfonamide
CAS Number:
923676-92-0
Molecular Formula:
C8H5F3N2O2S
Molecular Weight:
250.1977
MDL Number:
MFCD08444471
IUPAC Name:
4-cyano-3-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C8H5F3N2O2S/c9-8(10,11)7-3-6(16(13,14)15)2-1-5(7)4-12/h1-3H,(H2,13,14,15)
InChI Key:
NDNVZATXCGMNHR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.195g/mol
Monoisotopic Mass:
250.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties