N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide

N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide

CAS: 439097-32-2

Formula: C20H15NO2S

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

IUPAC: 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

Composition: C (72.05%), H (4.54%), N (4.20%), O (9.60%), S (9.62%)

Molar Mass: 333.41

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	333.082349901
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WHSZDJUYPVZWKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.73
Topological Polar Surface Area	46.17
Polarizability	37.33
Ring Count	3
Rotatable Bond Count	4

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