methyl 4-fluoro-3-(morpholine-4-sulfonyl)-1-benzothiophene-2-carboxylate

methyl 4-fluoro-3-(morpholine-4-sulfonyl)-1-benzothiophene-2-carboxylate

Formula: C14H14FNO5S2

SMILES: COC(=O)C1=C(C2=C(F)C=CC=C2S1)S(=O)(=O)N1CCOCC1

IUPAC: methyl 4-fluoro-3-(morpholine-4-sulfonyl)-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C14H14FNO5S2/c1-20-14(17)12-13(11-9(15)3-2-4-10(11)22-12)23(18,19)16-5-7-21-8-6-16/h2-4H,5-8H2,1H3

Composition: C (46.79%), H (3.93%), F (5.29%), N (3.90%), O (22.26%), S (17.84%)

Molar Mass: 359.39

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	359.029743066
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ADOOOACDUSWDSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.45
Topological Polar Surface Area	72.91
Polarizability	33.4
Ring Count	3
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C14H14FNO5S2		$226.80-$340.20$226.80$340.20