methyl 2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}benzoate

methyl 2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}benzoate

Formula: C19H20N2O7S

SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC=C2OCCOC2=C1)S(C)(=O)=O

IUPAC: methyl 2-{2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamido]acetamido}benzoate

InChI: InChI=1S/C19H20N2O7S/c1-26-19(23)14-5-3-4-6-15(14)20-18(22)12-21(29(2,24)25)13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)

Composition: C (54.28%), H (4.80%), N (6.66%), O (26.64%), S (7.63%)

Molar Mass: 420.44

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.099122166
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HUMSLMTZHBEFIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.98
Topological Polar Surface Area	111.24
Polarizability	40.8
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N2O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00