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Home Sulfos 4-amino-N-[(2E)-azepan-2-ylidene]benzenesulfonamide

4-amino-N-[(2E)-azepan-2-ylidene]benzenesulfonamide

CAS No.:
109097-77-0
Catalog Number:
AG0197N7
Molecular Formula:
C12H17N3O2S
Molecular Weight:
267.3473
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Product Description
Catalog Number:
AG0197N7
Chemical Name:
4-amino-N-[(2E)-azepan-2-ylidene]benzenesulfonamide
CAS Number:
109097-77-0
Molecular Formula:
C12H17N3O2S
Molecular Weight:
267.3473
MDL Number:
MFCD03414804
IUPAC Name:
4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
InChI:
InChI=1S/C12H17N3O2S/c13-10-5-7-11(8-6-10)18(16,17)15-12-4-2-1-3-9-14-12/h5-8H,1-4,9,13H2,(H,14,15)
InChI Key:
VUZMDIDJVPWRSO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)/N=C/1\CCCCCN1
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.104g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.347g/mol
Monoisotopic Mass:
267.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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