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439097-32-2 | N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CAS No: 439097-32-2 Catalog No: AG00IP68 MDL No:MFCD03012875
Product Description
Catalog Number:
AG00IP68
Chemical Name:
N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CAS Number:
439097-32-2
Molecular Formula:
C20H15NO2S
Molecular Weight:
333.4036
MDL Number:
MFCD03012875
IUPAC Name:
N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C20H15NO2S/c22-24(23,20-9-5-2-6-10-20)21-19-15-13-18(14-16-19)12-11-17-7-3-1-4-8-17/h1-10,13-16,21H
InChI Key:
WHSZDJUYPVZWKM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.405g/mol
Monoisotopic Mass:
333.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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