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Home > Sulfanilamide > 56768-46-8
56768-46-8 | 4-cyano-N-phenylbenzene-1-sulfonamide
CAS No: 56768-46-8 Catalog No: AG019OXY MDL No:MFCD00512384
Product Description
Catalog Number:
AG019OXY
Chemical Name:
4-cyano-N-phenylbenzene-1-sulfonamide
CAS Number:
56768-46-8
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD00512384
IUPAC Name:
4-cyano-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C13H10N2O2S/c14-10-11-6-8-13(9-7-11)18(16,17)15-12-4-2-1-3-5-12/h1-9,15H
InChI Key:
ONKDTTLIURIIHI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
404
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:
1.9
Literature
| Title | Journal |
|---|---|
| Eight isostructural 4,4'-disubstituted N-phenylbenzenesulfonamides. | Acta crystallographica. Section C, Crystal structure communications 20121001 |
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