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1-phenyl-N-[4-(2-phenylethynyl)phenyl]methanesulfonamide

1-phenyl-N-[4-(2-phenylethynyl)phenyl]methanesulfonamide

CAS: 439097-35-5

Formula: C21H17NO2S

SMILES: O=S(=O)(CC1=CC=CC=C1)NC1=CC=C(C=C1)C#CC1=CC=CC=C1

IUPAC: 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

Composition: C (72.60%), H (4.93%), N (4.03%), O (9.21%), S (9.23%)

Molar Mass: 347.43

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 347.097999965
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AEYMOWHNKPNQAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.31
Topological Polar Surface Area 46.17
Polarizability 39.21
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439097-35-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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