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159383-46-7

159383-46-7 | N-(Benzenesulfonyl)-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide

CAS No: 159383-46-7 Catalog No: AG01F5QB MDL No:

Product Description

Catalog Number:
AG01F5QB
Chemical Name:
N-(Benzenesulfonyl)-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CAS Number:
159383-46-7
Molecular Formula:
C19H16N2O7S2
Molecular Weight:
448.4695
IUPAC Name:
N-(benzenesulfonyl)-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C19H16N2O7S2/c1-28-15-12-13-18(19(14-15)20(22)23)21(29(24,25)16-8-4-2-5-9-16)30(26,27)17-10-6-3-7-11-17/h2-14H,1H3
InChI Key:
YBXZOPDRHLFUMY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

Properties

Complexity:
738  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.04g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.464g/mol
Monoisotopic Mass:
448.04g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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