Home Sulfos 3-(phenylsulfonyl)benzenamine

3-(phenylsulfonyl)benzenamine

CAS No.:
26815-49-6
Catalog Number:
AG00C4XU
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG00C4XU
Chemical Name:
3-(phenylsulfonyl)benzenamine
CAS Number:
26815-49-6
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD00089052
IUPAC Name:
3-(benzenesulfonyl)aniline
InChI:
InChI=1S/C12H11NO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H,13H2
InChI Key:
RNDWVSUBNRMXMN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. Journal of medicinal chemistry 20010607
Properties