1,3-dimethyl 5-(2,5-dichlorobenzenesulfonamido)benzene-1,3-dicarboxylate

1,3-dimethyl 5-(2,5-dichlorobenzenesulfonamido)benzene-1,3-dicarboxylate

Formula: C16H13Cl2NO6S

SMILES: COC(=O)C1=CC(=CC(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-(2,5-dichlorobenzenesulfonamido)benzene-1,3-dicarboxylate

InChI: InChI=1S/C16H13Cl2NO6S/c1-24-15(20)9-5-10(16(21)25-2)7-12(6-9)19-26(22,23)14-8-11(17)3-4-13(14)18/h3-8,19H,1-2H3

Composition: C (45.95%), H (3.13%), Cl (16.95%), N (3.35%), O (22.95%), S (7.67%)

Molar Mass: 418.24

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	416.9840637
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SRTGYSASTXMRKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.55
Topological Polar Surface Area	98.77
Polarizability	38.01
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13Cl2NO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00