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125393-02-4 | 2-Pyrrolidinone, 1-[[4-(diethylamino)phenyl]sulfonyl]-
CAS No: 125393-02-4 Catalog No: AG000NME MDL No:
Product Description
Catalog Number:
AG000NME
Chemical Name:
2-Pyrrolidinone, 1-[[4-(diethylamino)phenyl]sulfonyl]-
CAS Number:
125393-02-4
Molecular Formula:
C14H20N2O3S
Molecular Weight:
296.3852
IUPAC Name:
1-[4-(diethylamino)phenyl]sulfonylpyrrolidin-2-one
InChI:
InChI=1S/C14H20N2O3S/c1-3-15(4-2)12-7-9-13(10-8-12)20(18,19)16-11-5-6-14(16)17/h7-10H,3-6,11H2,1-2H3
InChI Key:
QCXHDSZOWPEPQV-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)S(=O)(=O)N1CCCC1=O)CC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.385g/mol
Monoisotopic Mass:
296.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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