2,3-dichloro-3-[(4-methoxyphenyl)methanesulfonyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

2,3-dichloro-3-[(4-methoxyphenyl)methanesulfonyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

CAS: 1164563-87-4

Formula: C17H16Cl2N2O5S

SMILES: COC1=CC=C(CS(=O)(=O)C(Cl)=C(Cl)C(=O)NC2=CN=C(OC)C=C2)C=C1

IUPAC: 2,3-dichloro-3-[(4-methoxyphenyl)methanesulfonyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

InChI: InChI=1S/C17H16Cl2N2O5S/c1-25-13-6-3-11(4-7-13)10-27(23,24)16(19)15(18)17(22)21-12-5-8-14(26-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)

Composition: C (47.34%), H (3.74%), Cl (16.44%), N (6.50%), O (18.55%), S (7.43%)

Molar Mass: 431.28

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	430.0156982
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZXUIHBQNPSDKNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.46
Topological Polar Surface Area	94.59
Polarizability	40.42
Ring Count	2
Rotatable Bond Count	7

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