Home Sulfos 3-Cyano-N-phenylbenzenesulfonamide

3-Cyano-N-phenylbenzenesulfonamide

CAS No.:
56542-65-5
Catalog Number:
AG00ELWT
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
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Product Description
Catalog Number:
AG00ELWT
Chemical Name:
3-Cyano-N-phenylbenzenesulfonamide
CAS Number:
56542-65-5
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD04940985
IUPAC Name:
3-cyano-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C13H10N2O2S/c14-10-11-5-4-8-13(9-11)18(16,17)15-12-6-2-1-3-7-12/h1-9,15H
InChI Key:
KYMLGUHTWJQVFT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties