(2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(4-fluorophenyl)prop-2-enamide

(2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(4-fluorophenyl)prop-2-enamide

Formula: C21H19FN4O5S

SMILES: COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C=CC3=CC=C(F)C=C3)C=C2)=C1

IUPAC: (2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(4-fluorophenyl)prop-2-enamide

InChI: InChI=1S/C21H19FN4O5S/c1-30-20-13-18(24-21(25-20)31-2)26-32(28,29)17-10-8-16(9-11-17)23-19(27)12-5-14-3-6-15(22)7-4-14/h3-13H,1-2H3,(H,23,27)(H,24,25,26)/b12-5+

Composition: C (55.02%), H (4.18%), F (4.14%), N (12.22%), O (17.45%), S (6.99%)

Molar Mass: 458.46

Atom Count: 51

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	458.106019065
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	NTTYZXXYBUCVEC-LFYBBSHMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.55
Topological Polar Surface Area	119.51
Polarizability	44.29
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19FN4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00