5-(benzenesulfonyl)-4-[(4-fluorophenyl)sulfanyl]-2-phenylpyrimidine

5-(benzenesulfonyl)-4-[(4-fluorophenyl)sulfanyl]-2-phenylpyrimidine

CAS: 478081-01-5

Formula: C22H15FN2O2S2

SMILES: FC1=CC=C(SC2=C(C=NC(=N2)C2=CC=CC=C2)S(=O)(=O)C2=CC=CC=C2)C=C1

IUPAC: 5-(benzenesulfonyl)-4-[(4-fluorophenyl)sulfanyl]-2-phenylpyrimidine

InChI: InChI=1S/C22H15FN2O2S2/c23-17-11-13-18(14-12-17)28-22-20(29(26,27)19-9-5-2-6-10-19)15-24-21(25-22)16-7-3-1-4-8-16/h1-15H

Composition: C (62.54%), H (3.58%), F (4.50%), N (6.63%), O (7.57%), S (15.18%)

Molar Mass: 422.49

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	422.055898242
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XOQGVZYJMAZPCL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.88
Topological Polar Surface Area	59.92
Polarizability	45.17
Ring Count	4
Rotatable Bond Count	5

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