3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide


Chemical Name: 3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
CAS Number: 1228779-96-1
Product Number: AG000JNE(AGN-PC-0WAMBS)
Synonyms:
MDL No: MFCD28142285
Molecular Formula: C12H17N3O5S
Molecular Weight: 315.3455

Identification/Properties


Computed Properties
Molecular Weight:
315.344g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
315.089g/mol
Monoisotopic Mass:
315.089g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
453
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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