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Home > Sulfanilamide > 839-51-0
839-51-0 | Benzenesulfonamide, N-[(4-methylphenyl)methyl]-
CAS No: 839-51-0 Catalog No: AG004R5E MDL No:
Product Description
Catalog Number:
AG004R5E
Chemical Name:
Benzenesulfonamide, N-[(4-methylphenyl)methyl]-
CAS Number:
839-51-0
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
N-[(4-methylphenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C14H15NO2S/c1-12-7-9-13(10-8-12)11-15-18(16,17)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
InChI Key:
LQIKCVXTGFSJOJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNS(=O)(=O)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| N-(4-Methyl-benzo-yl)benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20100701 |
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