methyl (2E)-2-(4-chlorobenzenesulfonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enoate

methyl (2E)-2-(4-chlorobenzenesulfonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enoate

Formula: C18H16ClNO6S

SMILES: COC(=O)C(=C/NC1=CC=C2OCCOC2=C1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: methyl (2E)-2-(4-chlorobenzenesulfonyl)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]prop-2-enoate

InChI: InChI=1S/C18H16ClNO6S/c1-24-18(21)17(27(22,23)14-5-2-12(19)3-6-14)11-20-13-4-7-15-16(10-13)26-9-8-25-15/h2-7,10-11,20H,8-9H2,1H3/b17-11+

Composition: C (52.75%), H (3.94%), Cl (8.65%), N (3.42%), O (23.42%), S (7.82%)

Molar Mass: 409.84

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	409.0386861
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	GUVSBMPMYMDMEC-GZTJUZNOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.31
Topological Polar Surface Area	90.93
Polarizability	39.38
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16ClNO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00