Home Sulfos 2-[(benzenesulfonyl)methyl]aniline

2-[(benzenesulfonyl)methyl]aniline

CAS No.:
95539-67-6
Catalog Number:
AG01AGST
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
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Product Description
Catalog Number:
AG01AGST
Chemical Name:
2-[(benzenesulfonyl)methyl]aniline
CAS Number:
95539-67-6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD11200961
IUPAC Name:
2-(benzenesulfonylmethyl)aniline
InChI:
InChI=1S/C13H13NO2S/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10,14H2
InChI Key:
SYUUHJVWQMFSRO-UHFFFAOYSA-N
SMILES:
Nc1ccccc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties