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Home Sulfos 5-Amino-2-pyrrolidin-1-yl-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide

5-Amino-2-pyrrolidin-1-yl-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide

CAS No.:
326182-65-4
Catalog Number:
AG00I678
Molecular Formula:
C17H18F3N3O2S
Molecular Weight:
385.4039
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Product Description
Catalog Number:
AG00I678
Chemical Name:
5-Amino-2-pyrrolidin-1-yl-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide
CAS Number:
326182-65-4
Molecular Formula:
C17H18F3N3O2S
Molecular Weight:
385.4039
MDL Number:
MFCD02701688
IUPAC Name:
5-amino-2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C17H18F3N3O2S/c18-17(19,20)12-4-3-5-14(10-12)22-26(24,25)16-11-13(21)6-7-15(16)23-8-1-2-9-23/h3-7,10-11,22H,1-2,8-9,21H2
InChI Key:
MGSGKNKREAYFRZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)N1CCCC1
Properties
Complexity:
573  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.107g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
385.405g/mol
Monoisotopic Mass:
385.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
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