Home Sulfos 3-(azepane-1-sulfonyl)-4-methylaniline

3-(azepane-1-sulfonyl)-4-methylaniline

CAS No.:
326918-48-3
Catalog Number:
AG019H12
Molecular Formula:
C13H20N2O2S
Molecular Weight:
268.3751
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Product Description
Catalog Number:
AG019H12
Chemical Name:
3-(azepane-1-sulfonyl)-4-methylaniline
CAS Number:
326918-48-3
Molecular Formula:
C13H20N2O2S
Molecular Weight:
268.3751
MDL Number:
MFCD02704532
IUPAC Name:
3-(azepan-1-ylsulfonyl)-4-methylaniline
InChI:
InChI=1S/C13H20N2O2S/c1-11-6-7-12(14)10-13(11)18(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
InChI Key:
LECBCBTZDOXMQW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)N
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.125g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.375g/mol
Monoisotopic Mass:
268.125g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties