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Home > Nitro Compounds > 115562-51-1
115562-51-1 | Benzenesulfonamide, N,4-dimethyl-N-[(4-nitrophenyl)methyl]-
CAS No: 115562-51-1 Catalog No: AG000G5V MDL No:
Product Description
Catalog Number:
AG000G5V
Chemical Name:
Benzenesulfonamide, N,4-dimethyl-N-[(4-nitrophenyl)methyl]-
CAS Number:
115562-51-1
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
N,4-dimethyl-N-[(4-nitrophenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C15H16N2O4S/c1-12-3-9-15(10-4-12)22(20,21)16(2)11-13-5-7-14(8-6-13)17(18)19/h3-10H,11H2,1-2H3
InChI Key:
QCZJIDOZGWVIFR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| N,4-Dimethyl-N-(4-nitro-benz-yl)benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20080301 |
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