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Home Sulfos 3-amino-N-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide

3-amino-N-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide

CAS No.:
328028-32-6
Catalog Number:
AG019H0Q
Molecular Formula:
C13H12F2N2O2S2
Molecular Weight:
330.3734
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Product Description
Catalog Number:
AG019H0Q
Chemical Name:
3-amino-N-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide
CAS Number:
328028-32-6
Molecular Formula:
C13H12F2N2O2S2
Molecular Weight:
330.3734
MDL Number:
MFCD02704628
IUPAC Name:
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C13H12F2N2O2S2/c14-13(15)20-11-6-4-10(5-7-11)17-21(18,19)12-3-1-2-9(16)8-12/h1-8,13,17H,16H2
InChI Key:
CYPISBFZHWKBGV-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)NS(=O)(=O)c1cccc(c1)N)F
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.031g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.368g/mol
Monoisotopic Mass:
330.031g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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