(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-(acetamidosulfonyl)phenyl]prop-2-enamide

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-(acetamidosulfonyl)phenyl]prop-2-enamide

Formula: C18H16N2O6S

SMILES: CC(=O)NS(=O)(=O)C1=CC=C(NC(=O)C=CC2=CC=C3OCOC3=C2)C=C1

IUPAC: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-(acetamidosulfonyl)phenyl]prop-2-enamide

InChI: InChI=1S/C18H16N2O6S/c1-12(21)20-27(23,24)15-6-4-14(5-7-15)19-18(22)9-3-13-2-8-16-17(10-13)26-11-25-16/h2-10H,11H2,1H3,(H,19,22)(H,20,21)/b9-3+

Composition: C (55.66%), H (4.15%), N (7.21%), O (24.72%), S (8.25%)

Molar Mass: 388.39

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	388.072907417
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NJDCTMUTJUEEMG-YCRREMRBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.83
Topological Polar Surface Area	110.8
Polarizability	37.97
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00