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Home Sulfos 5-Amino-n-(4-methoxy-phenyl)-2-pyrrolidin-1-yl-benzenesulfonamide

5-Amino-n-(4-methoxy-phenyl)-2-pyrrolidin-1-yl-benzenesulfonamide

CAS No.:
327092-85-3
Catalog Number:
AG00I68K
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
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Product Description
Catalog Number:
AG00I68K
Chemical Name:
5-Amino-n-(4-methoxy-phenyl)-2-pyrrolidin-1-yl-benzenesulfonamide
CAS Number:
327092-85-3
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
MDL Number:
MFCD02708226
IUPAC Name:
5-amino-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzenesulfonamide
InChI:
InChI=1S/C17H21N3O3S/c1-23-15-7-5-14(6-8-15)19-24(21,22)17-12-13(18)4-9-16(17)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,18H2,1H3
InChI Key:
HJQNOLUBJRHHNZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)(=O)c1cc(N)ccc1N1CCCC1
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties