N-{2-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide

N-{2-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide

Formula: C23H28ClN7O3S

SMILES: COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3NS(C)(=O)=O)=N2)C=CC(=C1)N1CCN(C)CC1

IUPAC: N-{2-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide

InChI: InChI=1S/C23H28ClN7O3S/c1-30-10-12-31(13-11-30)16-8-9-20(21(14-16)34-2)27-23-25-15-17(24)22(28-23)26-18-6-4-5-7-19(18)29-35(3,32)33/h4-9,14-15,29H,10-13H2,1-3H3,(H2,25,26,27,28)

Composition: C (53.33%), H (5.45%), Cl (6.84%), N (18.93%), O (9.27%), S (6.19%)

Molar Mass: 518.03

Atom Count: 63

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	517.1662867
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
InChIKey	ATHZZWBANOJUOA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.38
Topological Polar Surface Area	111.72
Polarizability	52.73
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C23H28ClN7O3S		Quote Only