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439097-35-5 | 1-phenyl-N-[4-(2-phenylethynyl)phenyl]methanesulfonamide
CAS No: 439097-35-5 Catalog No: AG00IP69 MDL No:MFCD03012878
Product Description
Catalog Number:
AG00IP69
Chemical Name:
1-phenyl-N-[4-(2-phenylethynyl)phenyl]methanesulfonamide
CAS Number:
439097-35-5
Molecular Formula:
C21H17NO2S
Molecular Weight:
347.4302
MDL Number:
MFCD03012878
IUPAC Name:
1-phenyl-N-[4-(2-phenylethynyl)phenyl]methanesulfonamide
InChI:
InChI=1S/C21H17NO2S/c23-25(24,17-20-9-5-2-6-10-20)22-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,17H2
InChI Key:
AEYMOWHNKPNQAA-UHFFFAOYSA-N
SMILES:
O=S(=O)(Cc1ccccc1)Nc1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.432g/mol
Monoisotopic Mass:
347.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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