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126826-58-2 | Benzenesulfonamide, 4-amino-N-(1-butyl-2-pyrrolidinylidene)-
CAS No: 126826-58-2 Catalog No: AG000TAK MDL No:
Product Description
Catalog Number:
AG000TAK
Chemical Name:
Benzenesulfonamide, 4-amino-N-(1-butyl-2-pyrrolidinylidene)-
CAS Number:
126826-58-2
Molecular Formula:
C14H21N3O2S
Molecular Weight:
295.4004
IUPAC Name:
4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
InChI:
InChI=1S/C14H21N3O2S/c1-2-3-10-17-11-4-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3
InChI Key:
IBAHCHOCDXMEGE-UHFFFAOYSA-N
SMILES:
CCCCN1CCCC1=NS(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.401g/mol
Monoisotopic Mass:
295.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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