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Home Sulfos 2-phenylethane-1-sulfonamide

2-phenylethane-1-sulfonamide

CAS No.:
16993-47-8
Catalog Number:
AG01A8AS
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG01A8AS
Chemical Name:
2-phenylethane-1-sulfonamide
CAS Number:
16993-47-8
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD00183151
IUPAC Name:
2-phenylethanesulfonamide
InChI:
InChI=1S/C8H11NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)
InChI Key:
ROZCUVMFXOURIS-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)CCc1ccccc1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Ethenesulfonamide and ethanesulfonamide derivatives, a novel class of orally active endothelin-A receptor antagonists. Bioorganic & medicinal chemistry 20011101
Properties