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925886-35-7 | 4-Nitro-N-(3-Oxo-3-(Pyrrolidin-1-Yl)Propyl)Benzenesulfonamide
CAS No: 925886-35-7 Catalog No: AG019EMF MDL No:
Product Description
Catalog Number:
AG019EMF
Chemical Name:
4-Nitro-N-(3-Oxo-3-(Pyrrolidin-1-Yl)Propyl)Benzenesulfonamide
CAS Number:
925886-35-7
Molecular Formula:
C13H17N3O5S
Molecular Weight:
327.3562
IUPAC Name:
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
InChI:
InChI=1S/C13H17N3O5S/c17-13(15-9-1-2-10-15)7-8-14-22(20,21)12-5-3-11(4-6-12)16(18)19/h3-6,14H,1-2,7-10H2
InChI Key:
VNFCZUMBJHYQBH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.355g/mol
Monoisotopic Mass:
327.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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