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Home > Nitro Compounds > 332156-41-9
332156-41-9 | 4-Methyl-N-(4-nitro-benzyl)-N-p-tolyl-benzenesulfonamide
CAS No: 332156-41-9 Catalog No: AG01F7KX MDL No:
Product Description
Catalog Number:
AG01F7KX
Chemical Name:
4-Methyl-N-(4-nitro-benzyl)-N-p-tolyl-benzenesulfonamide
CAS Number:
332156-41-9
Molecular Formula:
C21H20N2O4S
Molecular Weight:
396.4595
IUPAC Name:
4-methyl-N-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C21H20N2O4S/c1-16-3-9-19(10-4-16)22(15-18-7-11-20(12-8-18)23(24)25)28(26,27)21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3
InChI Key:
NMQNHOWAYITNKP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.461g/mol
Monoisotopic Mass:
396.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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