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332163-39-0 | N-(3-Chloro-phenyl)-4-methyl-N-(3-nitro-benzyl)-benzenesulfonamide
CAS No: 332163-39-0 Catalog No: AG01F5LG MDL No:
Product Description
Catalog Number:
AG01F5LG
Chemical Name:
N-(3-Chloro-phenyl)-4-methyl-N-(3-nitro-benzyl)-benzenesulfonamide
CAS Number:
332163-39-0
Molecular Formula:
C20H17ClN2O4S
Molecular Weight:
416.8780
IUPAC Name:
N-(3-chlorophenyl)-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C20H17ClN2O4S/c1-15-8-10-20(11-9-15)28(26,27)22(18-6-3-5-17(21)13-18)14-16-4-2-7-19(12-16)23(24)25/h2-13H,14H2,1H3
InChI Key:
OTHCBBJATXSACR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N(S(=O)(=O)c1ccc(cc1)C)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.06g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.876g/mol
Monoisotopic Mass:
416.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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