Home Sulfos N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide

N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide

CAS No.:
377769-52-3
Catalog Number:
AG019H3H
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
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Product Description
Catalog Number:
AG019H3H
Chemical Name:
N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide
CAS Number:
377769-52-3
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
MDL Number:
MFCD02714416
IUPAC Name:
N-(4-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H13N3O4S/c1-9-2-7-12(16(17)18)8-13(9)21(19,20)15-11-5-3-10(14)4-6-11/h2-8,15H,14H2,1H3
InChI Key:
POKPHEDBFKATIT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.324g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties