N-{3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

N-{3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

CAS: 1195768-23-0

Formula: C23H18ClF3N4O2S2

SMILES: CC(C)(C)C1=NC(=C(S1)C1=NC(Cl)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1

IUPAC: N-{3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzene-1-sulfonamide

InChI: InChI=1S/C23H18ClF3N4O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(24)29-16)12-6-4-9-15(17(12)27)31-35(32,33)20-13(25)7-5-8-14(20)26/h4-11,31H,1-3H3

Composition: C (51.25%), H (3.37%), Cl (6.58%), F (10.57%), N (10.40%), O (5.94%), S (11.90%)

Molar Mass: 538.99

Atom Count: 53

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	538.0511804
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IOJHPWJJWDACRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.37
Topological Polar Surface Area	84.84
Polarizability	51.45
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1195768-23-0		$82.28-$757.35$82.28$164.56$251.52$757.35