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Home Sulfos 3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

CAS No.:
326023-23-8
Catalog Number:
AG019H1C
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
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Product Description
Catalog Number:
AG019H1C
Chemical Name:
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CAS Number:
326023-23-8
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
MDL Number:
MFCD02700622
IUPAC Name:
3-amino-N-(4-methoxyphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
InChI:
InChI=1S/C17H21N3O3S/c1-23-14-6-4-13(5-7-14)19-24(21,22)15-8-9-17(16(18)12-15)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,18H2,1H3
InChI Key:
QKDMCYVRFMPKIW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)N)N1CCCC1
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