2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-phenylmethanesulfonylprop-2-enamide

2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-phenylmethanesulfonylprop-2-enamide

CAS: 1164476-67-8

Formula: C16H14Cl2N2O4S

SMILES: COC1=NC=C(NC(=O)C(Cl)=C(Cl)S(=O)(=O)CC2=CC=CC=C2)C=C1

IUPAC: 2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-phenylmethanesulfonylprop-2-enamide

InChI: InChI=1S/C16H14Cl2N2O4S/c1-24-13-8-7-12(9-19-13)20-16(21)14(17)15(18)25(22,23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)

Composition: C (47.89%), H (3.52%), Cl (17.67%), N (6.98%), O (15.95%), S (7.99%)

Molar Mass: 401.26

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	400.0051335
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RSCMVRBCGVUKGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97
Topological Polar Surface Area	85.36
Polarizability	37.86
Ring Count	2
Rotatable Bond Count	6

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