Home Sulfos 5-cyano-2-methylbenzene-1-sulfonamide

5-cyano-2-methylbenzene-1-sulfonamide

CAS No.:
1248118-80-0
Catalog Number:
AG01AIIQ
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
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Product Description
Catalog Number:
AG01AIIQ
Chemical Name:
5-cyano-2-methylbenzene-1-sulfonamide
CAS Number:
1248118-80-0
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD16679496
IUPAC Name:
5-cyano-2-methylbenzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-6-2-3-7(5-9)4-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChI Key:
IAHUULOIHAFWOM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)S(=O)(=O)N)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties