2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenol

2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenol

CAS: 338406-78-3

Formula: C18H11ClF3NO4S

SMILES: OC1=C(C=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenol

InChI: InChI=1S/C18H11ClF3NO4S/c19-14-8-11(18(20,21)22)10-23-17(14)27-12-6-7-15(24)16(9-12)28(25,26)13-4-2-1-3-5-13/h1-10,24H

Composition: C (50.30%), H (2.58%), Cl (8.25%), F (13.26%), N (3.26%), O (14.89%), S (7.46%)

Molar Mass: 429.79

Atom Count: 39

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	429.0049412
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AMSJLERTCUHYBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.75
Topological Polar Surface Area	76.49
Polarizability	37.55
Ring Count	3
Rotatable Bond Count	5

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